Vitas-M small molecule compound
butyl 2-({(2E)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021039
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)Cl)/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 C27H24Cl2N2O4S MW 543.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N2O4S/c1-2-3-12-34-27(33)24-20-6-4-5-7-23(20)36-26(24)31-25(32)16(15-30)13-18-9-11-22(35-18)19-10-8-17(28)14-21(19)29/h8-11,13-14H,2-7,12H2,1H3,(H,31,32)/b16-13+InChIKey
YVGRKCWHCMIERB-DTQAZKPQSA-NSynonyms
488744-32-7(E)butyl2(2cyano3(5(24dichlorophenyl)furan2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
488744327
butyl2(((2E)2cyano3(5(24dichlorophenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(5(24dichlorophenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2ccc(cc2Cl)Cl)C#N)sc2c1CCCC2
InChI=1SC27H24Cl2N2O4Sc123123427(33)2420645723(20)3626(24)3125(32)16(1530)131891122(3518)1910817(28)1421(19)29h8111314H2712H21H3(H3132)b1613+
MFCD03292197
ZINC000002339975
ZINC2339975
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