Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(3-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK949506
SMILES N#C/C(=C\c1c[nH]nc1c1ccccc1)/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 C23H20N4O3S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S/c1-30-23(29)19-17-9-5-6-10-18(17)31-22(19)26-21(28)15(12-24)11-16-13-25-27-20(16)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,25,27)(H,26,28)/b15-11+InChIKey
CAAFOIXWLIAVRM-RVDMUPIBSA-NSynonyms
1005848-89-41005848894
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=C(NN=C3)C4=CC=CC=C4)C#N
InChI=1SC23H20N4O3Sc13023(29)19179561018(17)3122(19)2621(28)15(1224)111613252720(16)147324814h24781113H56910H21H3(H2527)(H2628)b1511+
methyl2(((2E)2cyano3(3phenyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)2cyano3(5phenyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04444409
N#CC(=Cc1c(nH)nc1c1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000001453400
ZINC01453400
ZINC1453400
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