Vitas-M small molecule compound
methyl 4-{(2E)-5-amino-6,8-dicyano-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-7-yl}benzoate
Catalog ID
STK863591
SMILES COC(=O)c1ccc(cc1)/C=c\1/sc2=C(C#N)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)C(=O)OC
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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 C26H18N4O5S MW 498.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18N4O5S/c1-34-25(32)16-5-3-14(4-6-16)11-20-23(31)30-22(29)18(12-27)21(19(13-28)24(30)36-20)15-7-9-17(10-8-15)26(33)35-2/h3-11,21H,29H2,1-2H3/b20-11+InChIKey
CDNCBBZPUJPFLJ-RGVLZGJSSA-NSynonyms
(Z)methyl4(5amino68dicyano2(4(methoxycarbonyl)benzylidene)3oxo37dihydro2Hthiazolo(32a)pyridin7yl)benzoate
COC(=O)C1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=C(C=C4)C(=O)OC)C#N)N
COC(=O)c1ccc(cc1)C=c1sc2=C(C#N)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)C(=O)OC
InChI=1SC26H18N4O5Sc13425(32)165314(4616)112023(31)3022(29)18(1227)21(19(1328)24(30)3620)157917(10815)26(33)352h31121H29H212H3b2011+
methyl4((2E)5amino68dicyano2(4(methoxycarbonyl)benzylidene)3oxo23dihydro7H(13)thiazolo(32a)pyridin7yl)benzoate
METHYL4((E)(5AMINO68DICYANO7(4METHOXYCARBONYLPHENYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)METHYL)BENZOATE
MFCD03250005
ZINC000039400741
ZINC000039400742
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.