Vitas-M small molecule compound
ethyl 6-ethyl-2-{[(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK317457
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2cnn(c2)C)sc2c1CCC(C2)CC
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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 C20H25N3O3S MW 387.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S/c1-4-13-6-8-15-16(10-13)27-19(18(15)20(25)26-5-2)22-17(24)9-7-14-11-21-23(3)12-14/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,22,24)/b9-7+InChIKey
WYMWPGBGEPFPQB-VQHVLOKHSA-NSynonyms
515849-27-1515849271
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C=CC3=CN(N=C3)C
CCOC(=O)c1c(NC(=O)C=Cc2cnn(c2)C)sc2c1CCC(C2)CC
ethyl6ethyl2(((2E)3(1methyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2(((E)3(1methylpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H25N3O3Sc1413681516(1013)2719(18(15)20(25)2652)2217(24)9714112123(3)1214h791113H46810H213H3(H2224)b97+
MFCD02243199
ZINC000002768897
ZINC000002768899
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