Vitas-M small molecule compound
methyl 2-{[(2E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK421759
SMILES COC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCC(C2)C(CC)(C)C
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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 C24H27Cl2NO3S MW 480.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27Cl2NO3S/c1-5-24(2,3)14-9-10-16-19(13-14)31-22(21(16)23(29)30-4)27-20(28)12-11-15-17(25)7-6-8-18(15)26/h6-8,11-12,14H,5,9-10,13H2,1-4H3,(H,27,28)/b12-11+InChIKey
PNOQLXCKXYEFBI-VAWYXSNFSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=C(C=CC=C3Cl)Cl
COC(=O)c1c(NC(=O)C=Cc2c(Cl)cccc2Cl)sc2c1CCC(C2)C(CC)(C)C
InChI=1SC24H27Cl2NO3Sc1524(23)149101619(1314)3122(21(16)23(29)304)2720(28)12111517(25)76818(15)26h68111214H591013H214H3(H2728)b1211+
methyl2(((2E)3(26dichlorophenyl)prop2enoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(26dichlorophenyl)prop2enoyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
MFCD01339543
ZINC000002729690
ZINC000002729692
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