Vitas-M small molecule compound
butyl 2-({(2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK740202
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2cc(Cl)ccc2Cl)/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)24-19-6-4-5-7-23(19)36-26(24)31-25(32)16(15-30)13-18-9-11-22(35-18)20-14-17(28)8-10-21(20)29/h8-11,13-14H,2-7,12H2,1H3,(H,31,32)/b16-13+InChIKey
ZKTKBEQWICTHCK-DTQAZKPQSA-NSynonyms
488726-33-6(E)butyl2(2cyano3(5(25dichlorophenyl)furan2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
488726336
butyl2(((2E)2cyano3(5(25dichlorophenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(5(25dichlorophenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2cc(Cl)ccc2Cl)C#N)sc2c1CCCC2
InChI=1SC27H24Cl2N2O4Sc123123427(33)2419645723(19)3626(24)3125(32)16(1530)131891122(3518)201417(28)81021(20)29h8111314H2712H21H3(H3132)b1613+
MFCD03291610
ZINC000002338314
ZINC2338314
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