Vitas-M small molecule compound
ethyl (2Z)-5-amino-6-cyano-3-oxo-2-(3-phenoxybenzylidene)-7-(3-phenoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STK031553
SMILES CCOC(=O)C1=c2s/c(=C\c3cccc(c3)Oc3ccccc3)/c(=O)n2C(=C(C1c1cccc(c1)Oc1ccccc1)C#N)N
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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 C36H27N3O5S MW 613.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H27N3O5S/c1-2-42-36(41)32-31(24-12-10-18-28(21-24)44-26-15-7-4-8-16-26)29(22-37)33(38)39-34(40)30(45-35(32)39)20-23-11-9-17-27(19-23)43-25-13-5-3-6-14-25/h3-21,31H,2,38H2,1H3/b30-20-InChIKey
DONZCOSUQYBLMX-COEJQBHMSA-NSynonyms
CCOC(=O)C1=C2N(C(=C(C1C3=CC(=CC=C3)OC4=CC=CC=C4)C#N)N)C(=O)C(=CC5=CC(=CC=C5)OC6=CC=CC=C6)S2
CCOC(=O)C1=c2sc(=Cc3cccc(c3)Oc3ccccc3)c(=O)n2C(=C(C1c1cccc(c1)Oc1ccccc1)C#N)N
ETHYL(2Z)5AMINO6CYANO3OXO2(3PHENOXYBENZYLIDENE)7(3PHENOXYPHENYL)23DIHYDRO7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
ETHYL(2Z)5AMINO6CYANO3OXO7(3PHENOXYPHENYL)2((3PHENOXYPHENYL)METHYLIDENE)7H(13)THIAZOLO(32A)PYRIDINE8CARBOXYLATE
InChI=1SC36H27N3O5Sc124236(41)3231(2412101828(2124)4426157481626)29(2237)33(38)3934(40)30(4535(32)39)20231191727(1923)4325135361425h32131H238H21H3b3020
MFCD02061640
STK031553
ZINC000097958169
ZINC000097958170
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