Vitas-M small molecule compound
methyl 2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK538699
SMILES COC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCCCCCCCCC2
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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 C28H36N2O5S2 MW 544.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O5S2/c1-33-21-16-14-19(18-22(21)34-2)15-17-24(31)29-28(36)30-26-25(27(32)35-3)20-12-10-8-6-4-5-7-9-11-13-23(20)37-26/h14-18H,4-13H2,1-3H3,(H2,29,30,31,36)/b17-15+InChIKey
WXPBKVUZEDVZLQ-BMRADRMJSA-NSynonyms
370574-78-0(E)methyl2(3(3(34dimethoxyphenyl)acryloyl)thioureido)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
370574780
COC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(c(c2)OC)OC)sc2c1CCCCCCCCCC2
COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=C(C3=C(S2)CCCCCCCCCC3)C(=O)OC)OC
InChI=1SC28H36N2O5S2c13321161419(1822(21)342)151724(31)2928(36)302625(27(32)353)201210864579111323(20)3726h1418H413H213H3(H229303136)b1715+
methyl2((((2E)3(34dimethoxyphenyl)prop2enoyl)carbamothioyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
methyl2(((E)3(34dimethoxyphenyl)prop2enoyl)carbamothioylamino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
MFCD01994187
ZINC000100818478
ZINC100818478
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