Vitas-M small molecule compound
ethyl 2-[({[3-(acetyloxy)phenyl]carbonyl}carbamothioyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK070180
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(c2)OC(=O)C)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 C26H32N2O5S2 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O5S2/c1-6-26(4,5)17-11-12-19-20(14-17)35-23(21(19)24(31)32-7-2)28-25(34)27-22(30)16-9-8-10-18(13-16)33-15(3)29/h8-10,13,17H,6-7,11-12,14H2,1-5H3,(H2,27,28,30,34)InChIKey
PUVWUZUGAJIJOA-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC(=CC=C3)OC(=O)C
CCOC(=O)c1c(NC(=S)NC(=O)c2cccc(c2)OC(=O)C)sc2c1CCC(C2)C(CC)(C)C
ethyl2((((3(acetyloxy)phenyl)carbonyl)carbamothioyl)amino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3acetyloxybenzoyl)carbamothioylamino)6(2methylbutan2yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H32N2O5S2c1626(45)1711121920(1417)3523(21(19)24(31)3272)2825(34)2722(30)16981018(1316)3315(3)29h8101317H67111214H215H3(H227283034)
MFCD03064970
STK070180
ZINC000009635634
ZINC000013898522
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