Vitas-M small molecule compound
ethyl 2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK539595
SMILES CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(c(c2)OC)OC)sc2c1CCCCC2
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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 C24H28N2O5S2 MW 488.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5S2/c1-4-31-23(28)21-16-8-6-5-7-9-19(16)33-22(21)26-24(32)25-20(27)13-11-15-10-12-17(29-2)18(14-15)30-3/h10-14H,4-9H2,1-3H3,(H2,25,26,27,32)/b13-11+InChIKey
KRHAETYQYVQCNA-ACCUITESSA-NSynonyms
370574-81-5(E)ethyl2(3(3(34dimethoxyphenyl)acryloyl)thioureido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
370574815
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C=CC3=CC(=C(C=C3)OC)OC
CCOC(=O)c1c(NC(=S)NC(=O)C=Cc2ccc(c(c2)OC)OC)sc2c1CCCCC2
ethyl2((((2E)3(34dimethoxyphenyl)prop2enoyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(((E)3(34dimethoxyphenyl)prop2enoyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC24H28N2O5S2c143123(28)21168657919(16)3322(21)2624(32)2520(27)131115101217(292)18(1415)303h1014H49H213H3(H225262732)b1311+
MFCD01605086
ZINC000009215623
ZINC09215623
ZINC9215623
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