Vitas-M small molecule compound
butyl 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
STK740232
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2c[nH]nc2c2ccccc2)/C#N)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 C26H26N4O3S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S/c1-2-3-13-33-26(32)22-20-11-7-8-12-21(20)34-25(22)29-24(31)18(15-27)14-19-16-28-30-23(19)17-9-5-4-6-10-17/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,28,30)(H,29,31)/b18-14+InChIKey
OISDPYFJNVEHAL-NBVRZTHBSA-NSynonyms
955857-33-7(E)butyl2(2cyano3(3phenyl1Hpyrazol4yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
955857337
butyl2(((2E)2cyano3(3phenyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(5phenyl1Hpyrazol4yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=C(NN=C3)C4=CC=CC=C4)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2c(nH)nc2c2ccccc2)C#N)sc2c1CCCC2
InChI=1SC26H26N4O3Sc123133326(32)222011781221(20)3425(22)2924(31)18(1527)141916283023(19)1795461017h469101416H23781113H21H3(H2830)(H2931)b1814+
MFCD03298128
ZINC000008743800
ZINC08743800
ZINC8743800
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