Vitas-M small molecule compound
methyl (2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]valyl}imino)-5-phenyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL541417
SMILES COC(=O)c1[nH]/c(=N/C(=O)C(C(C)C)Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1c1ccccc1
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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 C37H40N4O8S MW 700.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H40N4O8S/c1-19(2)30(35(44)41-37-40-31(36(45)49-7)34(50-37)21-11-9-8-10-12-21)39-26-16-14-23-24(18-27(26)43)25(38-20(3)42)15-13-22-17-28(46-4)32(47-5)33(48-6)29(22)23/h8-12,14,16-19,25,30H,13,15H2,1-7H3,(H,38,42)(H,39,43)(H,40,41,44)InChIKey
WXFVLJHRDGVJSL-UHFFFAOYSA-NSynonyms
75356766
InChI=1SC37H40N4O8Sc119(2)30(35(44)41374031(36(45)497)34(5037)211198101221)392616142324(1827(26)43)25(3820(3)42)1513221728(464)32(475)33(486)29(22)23h8121416192530H1315H217H3(H3842)(H3943)(H404144)
methyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)valyl)imino)5phenyl23dihydro13thiazole4carboxylate
methyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)5phenyl13thiazole4carboxylate
MFCD31755343
ZINC000150653046
ZINC000206244873
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