Vitas-M small molecule compound
methyl (2Z)-5-amino-6-cyano-2-(4-hydroxy-3-methoxybenzylidene)-7-(4-hydroxy-3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Catalog ID
STK863631
SMILES COc1cc(ccc1O)/C=c/1\sc2=C(C(=O)OC)C(C(=C(n2c1=O)N)C#N)c1ccc(c(c1)OC)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 C25H21N3O7S MW 507.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O7S/c1-33-17-8-12(4-6-15(17)29)9-19-23(31)28-22(27)14(11-26)20(21(24(28)36-19)25(32)35-3)13-5-7-16(30)18(10-13)34-2/h4-10,20,29-30H,27H2,1-3H3/b19-9-InChIKey
AOWXLDRYZMSULN-OCKHKDLRSA-NSynonyms
(E)methyl5amino6cyano2(4hydroxy3methoxybenzylidene)7(4hydroxy3methoxyphenyl)3oxo37dihydro2Hthiazolo(32a)pyridine8carboxylate
COC1=C(C=CC(=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C(=O)OC)C4=CC(=C(C=C4)O)OC)C#N)N)O
COc1cc(ccc1O)C=c1sc2=C(C(=O)OC)C(C(=C(n2c1=O)N)C#N)c1ccc(c(c1)OC)O
InChI=1SC25H21N3O7Sc13317812(4615(17)29)91923(31)2822(27)14(1126)20(21(24(28)3619)25(32)353)135716(30)18(1013)342h410202930H27H213H3b199
methyl(2Z)5amino6cyano2(4hydroxy3methoxybenzylidene)7(4hydroxy3methoxyphenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine8carboxylate
methyl(2Z)5amino6cyano7(4hydroxy3methoxyphenyl)2((4hydroxy3methoxyphenyl)methylidene)3oxo7H(13)thiazolo(32a)pyridine8carboxylate
MFCD02061551
ZINC000001835465
ZINC000001835467
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.