Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK317464
SMILES COC(=O)c1c(NC(=O)/C=C/c2cnn(c2)C)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 C17H19N3O3S MW 345.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O3S/c1-20-10-11(9-18-20)7-8-14(21)19-16-15(17(22)23-2)12-5-3-4-6-13(12)24-16/h7-10H,3-6H2,1-2H3,(H,19,21)/b8-7+InChIKey
MMHCOFPKLSEUAV-BQYQJAHWSA-NSynonyms
515849-52-2515849522
CN1C=C(C=N1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
COC(=O)c1c(NC(=O)C=Cc2cnn(c2)C)sc2c1CCCC2
InChI=1SC17H19N3O3Sc1201011(91820)7814(21)191615(17(22)232)12534613(12)2416h710H36H212H3(H1921)b87+
methyl2(((2E)3(1methyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(1methylpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02243300
ZINC000000375848
ZINC00375848
ZINC375848
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