Vitas-M small molecule compound
butyl 2-{[(2E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021032
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(cc2)F)/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 C23H23FN2O3S MW 426.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23FN2O3S/c1-2-3-12-29-23(28)20-18-6-4-5-7-19(18)30-22(20)26-21(27)16(14-25)13-15-8-10-17(24)11-9-15/h8-11,13H,2-7,12H2,1H3,(H,26,27)/b16-13+InChIKey
DFGOIUXSXOUBKB-DTQAZKPQSA-NSynonyms
488842-95-1(E)butyl2(2cyano3(4fluorophenyl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
488842951
butyl2(((2E)2cyano3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(4fluorophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(C=C3)F)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(cc2)F)C#N)sc2c1CCCC2
InChI=1SC23H23FN2O3Sc123122923(28)2018645719(18)3022(20)2621(27)16(1425)131581017(24)11915h81113H2712H21H3(H2627)b1613+
MFCD03294453
ZINC000002199190
ZINC02199190
ZINC2199190
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