Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK317557
SMILES COC(=O)c1c(NC(=O)/C=C/c2cnn(c2C)CC)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 C19H23N3O3S MW 373.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O3S/c1-4-22-12(2)13(11-20-22)9-10-16(23)21-18-17(19(24)25-3)14-7-5-6-8-15(14)26-18/h9-11H,4-8H2,1-3H3,(H,21,23)/b10-9+InChIKey
HMLWSBVEPZUJIX-MDZDMXLPSA-NSynonyms
515858-56-7515858567
CCN1C(=C(C=N1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C
COC(=O)c1c(NC(=O)C=Cc2cnn(c2C)CC)sc2c1CCCC2
InChI=1SC19H23N3O3Sc142212(2)13(112022)91016(23)211817(19(24)253)14756815(14)2618h911H48H213H3(H2123)b109+
methyl2(((2E)3(1ethyl5methyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(1ethyl5methylpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02373668
ZINC000002770433
ZINC02770433
ZINC2770433
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