Vitas-M small molecule compound
ethyl 6-methyl-2-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK374904
SMILES CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(cc2)C(C)C)sc2c1CCC(C2)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 C25H30N2O3S2 MW 470.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O3S2/c1-5-30-24(29)22-19-12-6-16(4)14-20(19)32-23(22)27-25(31)26-21(28)13-9-17-7-10-18(11-8-17)15(2)3/h7-11,13,15-16H,5-6,12,14H2,1-4H3,(H2,26,27,28,31)/b13-9+InChIKey
NJUSTPDSAKKKEH-UKTHLTGXSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C=CC3=CC=C(C=C3)C(C)C
CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(cc2)C(C)C)sc2c1CCC(C2)C
ethyl6methyl2((((2E)3(4(propan2yl)phenyl)prop2enoyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6methyl2(((E)3(4propan2ylphenyl)prop2enoyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC25H30N2O3S2c153024(29)221912616(4)1420(19)3223(22)2725(31)2621(28)1391771018(11817)15(2)3h711131516H561214H214H3(H226272831)b139+
MFCD00761328
ZINC000003096999
ZINC000003097001
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