Vitas-M small molecule compound
2-[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-{(2S)-3-methyl-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-yl}ac
Catalog ID
STL562007
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)N[C@H](C(=O)N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C(C)C)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
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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 C43H44ClN3O10 MW 798.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H44ClN3O10/c1-21(2)37(42(52)46-18-23-15-25(20-46)28-8-7-9-33(49)47(28)19-23)45-32(48)16-27-34-30(56-38(27)24-10-12-26(53-4)13-11-24)14-22(3)43(40(34)50)41(51)35-29(54-5)17-31(55-6)36(44)39(35)57-43/h7-13,17,21-23,25,37H,14-16,18-20H2,1-6H3,(H,InChIKey
NNJHMHFAOGFFDL-JKLFWMIZSA-NSynonyms
145705359
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((2S)3methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butan2yl)ac
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((2S)3methyl1oxo1((1S9R)6oxo711diazatricyclo(731027)trideca24dien11yl)butan2yl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)N(C@H)(C(=O)N1C(C@H)3C(C@@H)(C1)c1n(C3)c(=O)ccc1)C(C)C)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
ETHANOPYRIDO(12A)(15)DIAZOCIN3(4H)YL)BUTAN2YL)AC
InChI=1SC43H44ClN3O10c121(2)37(42(52)4618231525(2046)2887933(49)47(28)1923)4532(48)16273430(5638(27)24101226(534)131124)1422(3)43(40(34)50)41(51)3529(545)1731(556)36(44)39(35)5743h7131721232537H14161820H216H3(H4548)t222325+37+43+m1s1
MFCD32651061
ZINC001848443389
Check stock
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Check stock on Vitas-MAvailable files
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