Vitas-M small molecule compound
ethyl (2Z)-5-amino-8-cyano-2-(3,4-dimethoxybenzylidene)-7-(3,4-dimethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Catalog ID
STK672930
SMILES CCOC(=O)C1=C(N)n2c(=C(C1c1ccc(c(c1)OC)OC)C#N)s/c(=C\c1ccc(c(c1)OC)OC)/c2=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 C28H27N3O7S MW 549.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O7S/c1-6-38-28(33)24-23(16-8-10-19(35-3)21(13-16)37-5)17(14-29)27-31(25(24)30)26(32)22(39-27)12-15-7-9-18(34-2)20(11-15)36-4/h7-13,23H,6,30H2,1-5H3/b22-12-InChIKey
KHQRBLMWHDVDHW-UUYOSTAYSA-NSynonyms
CCOC(=O)C1=C(N)n2c(=C(C1c1ccc(c(c1)OC)OC)C#N)sc(=Cc1ccc(c(c1)OC)OC)c2=O
CCOC(=O)C1=C(N2C(=C(C1C3=CC(=C(C=C3)OC)OC)C#N)SC(=CC4=CC(=C(C=C4)OC)OC)C2=O)N
ethyl(2Z)5amino8cyano2(34dimethoxybenzylidene)7(34dimethoxyphenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine6carboxylate
ETHYL(2Z)5AMINO8CYANO7(34DIMETHOXYPHENYL)2((34DIMETHOXYPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE6CARBOXYLATE
InChI=1SC28H27N3O7Sc163828(33)2423(1681019(353)21(1316)375)17(1429)2731(25(24)30)26(32)22(3927)12157918(342)20(1115)364h71323H630H215H3b2212
MFCD00826987
ZINC000003663021
ZINC000003663023
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