Vitas-M small molecule compound
(2R)-2-({(2E)-3-[(2R,3R)-3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
Catalog ID
STL565867
SMILES O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c2c1[C@@H](C(=O)OC(C(=O)O)Cc1ccc(c(c1)O)O)[C@@H](O2)c1ccc(c(c1)O)O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C36H30O16 MW 718.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28?,31InChIKey
SNKFFCBZYFGCQN-RDHSGEKBSA-NSynonyms
(2R)2(((2E)3((2R3R)3((1carboxy2(34dihydroxyphenyl)ethoxy)carbonyl)2(34dihydroxyphenyl)7hydroxy23dihydro1benzofuran4yl)prop2enoyl)oxy)3(34dihydroxyphenyl)propanoicacid
(2R)2((E)3((2R3R)3((1CARBOXY2(34DIHYDROXYPHENYL)ETHOXY)OXOMETHYL)2(34DIHYDROXYPHENYL)7HYDROXY23DIHYDROBENZOFURAN4YL)1OXOPROP2ENOXY)3(34DIHYDROXYPHENYL)PROPANOICACID
(2R)2((E)3((2R3R)3(1carboxy2(34dihydroxyphenyl)ethoxy)carbonyl2(34dihydroxyphenyl)7hydroxy23dihydro1benzofuran4yl)prop2enoyl)oxy3(34dihydroxyphenyl)propanoicacid
(2R)3(34BIS(OXIDANYL)PHENYL)2((E)3((2R3R)2(34BIS(OXIDANYL)PHENYL)3(3(34BIS(OXIDANYL)PHENYL)1OXIDANYL1OXIDANYLIDENEPROPAN2YL)OXYCARBONYL7OXIDANYL23DIHYDRO1BENZOFURAN4YL)PROP2ENOYL)OXYPROPANOICACID
2(((2R3R)4((E)3((R)1CARBOXY2(34DIHYDROXYPHENYL)ETHOXY)3OXOPROP1EN1YL)2(34DIHYDROXYPHENYL)7HYDROXY23DIHYDROBENZOFURAN3CARBONYL)OXY)3(34DIHYDROXYPHENY
6441188
InChI=1SC36H30O16c37206116(1124(20)41)1327(34(45)46)5029(44)105183923(40)3330(18)31(32(5233)194822(39)26(43)1519)36(49)5128(35(47)48)14172721(38)25(42)1217h11215272831323743H1314H2(H4546)(H4748)b105+t2728?3132+m1s1
L)PROPANOICACID
MFCD28978122
SALVIANOLICACIDB
ZINC000049538628
ZINC000049538629
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Check stock on Vitas-MAvailable files
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