Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-isochromene-6-carboxamide
Catalog ID
STL016512
SMILES N#Cc1c(NC(=O)c2ccc3c(c2)CC(OC3=O)c2ccccc2)sc2c1CCCC2
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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 C25H20N2O3S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O3S/c26-14-20-19-8-4-5-9-22(19)31-24(20)27-23(28)16-10-11-18-17(12-16)13-21(30-25(18)29)15-6-2-1-3-7-15/h1-3,6-7,10-12,21H,4-5,8-9,13H2,(H,27,28)InChIKey
GQHRHOAUUBAVOU-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5)C#N
InChI=1SC25H20N2O3Sc26142019845922(19)3124(20)2723(28)1610111817(1216)1321(3025(18)29)156213715h1367101221H458913H2(H2728)
MFCD12968029
N(3cyano4567tetrahydro1benzothiophen2yl)1oxo3phenyl34dihydro1Hisochromene6carboxamide
N(3cyano4567tetrahydro1benzothiophen2yl)1oxo3phenyl34dihydroisochromene6carboxamide
ZINC000015838265
ZINC000015838267
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