Vitas-M small molecule compound
methyl 2-{[(2Z)-2-cyano-3-(pyridin-3-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL022369
SMILES N#C/C(=C/c1cccnc1)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C19H17N3O3S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S/c1-25-19(24)16-14-6-2-3-7-15(14)26-18(16)22-17(23)13(10-20)9-12-5-4-8-21-11-12/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,22,23)/b13-9-InChIKey
LBNIUQGAYIFNOY-LCYFTJDESA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CN=CC=C3)C#N
InChI=1SC19H17N3O3Sc12519(24)1614623715(14)2618(16)2217(23)13(1020)912548211112h458911H2367H21H3(H2223)b139
methyl2(((2Z)2cyano3(pyridin3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((Z)2cyano3pyridin3ylprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05637394
N#CC(=Cc1cccnc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000005016816
ZINC05016816
ZINC5016816
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