Vitas-M small molecule compound

ethyl (2Z)-5-amino-8-cyano-2-(4-ethylbenzylidene)-7-(4-ethylphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

Catalog ID
STK754103
SMILES CCOC(=O)C1=C(N)n2c(=C(C1c1ccc(cc1)CC)C#N)s/c(=C\c1ccc(cc1)CC)/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 C28H27N3O3S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S/c1-4-17-7-9-19(10-8-17)15-22-26(32)31-25(30)24(28(33)34-6-3)23(21(16-29)27(31)35-22)20-13-11-18(5-2)12-14-20/h7-15,23H,4-6,30H2,1-3H3/b22-15-
InChIKey
NJVYBZDDPROLIW-JCMHNJIXSA-N
Synonyms

CCC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=C(C=C4)CC)C(=O)OCC)N
CCOC(=O)C1=C(N)n2c(=C(C1c1ccc(cc1)CC)C#N)sc(=Cc1ccc(cc1)CC)c2=O
ethyl(2Z)5amino8cyano2(4ethylbenzylidene)7(4ethylphenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine6carboxylate
ETHYL(2Z)5AMINO8CYANO7(4ETHYLPHENYL)2((4ETHYLPHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE6CARBOXYLATE
InChI=1SC28H27N3O3Sc14177919(10817)152226(32)3125(30)24(28(33)3463)23(21(1629)27(31)3522)20131118(52)121420h71523H4630H213H3b2215
MFCD00825123
ZINC000003117508
ZINC000003117510

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Available files

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