Vitas-M small molecule compound
methyl 3-{[({5-[(3-chloro-4-methylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)acetyl]amino}thiophene-2-carboxylate
Catalog ID
STL141865
SMILES COC(=O)c1sccc1NC(=O)CSc1ncc(c(=O)[nH]1)S(=O)(=O)c1ccc(c(c1)Cl)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 C19H16ClN3O6S3 MW 514.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O6S3/c1-10-3-4-11(7-12(10)20)32(27,28)14-8-21-19(23-17(14)25)31-9-15(24)22-13-5-6-30-16(13)18(26)29-2/h3-8H,9H2,1-2H3,(H,22,24)(H,21,23,25)InChIKey
CUPRLVPOHSXNLI-UHFFFAOYSA-NSynonyms
1223864-65-01223864650
CC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=C(SC=C3)C(=O)OC)Cl
COC(=O)c1sccc1NC(=O)CSc1ncc(c(=O)(nH)1)S(=O)(=O)c1ccc(c(c1)Cl)C
InChI=1SC19H16ClN3O6S3c1103411(712(10)20)32(2728)1482119(2317(14)25)31915(24)2213563016(13)18(26)292h38H9H212H3(H2224)(H212325)
methyl3((((5((3chloro4methylphenyl)sulfonyl)6oxo16dihydropyrimidin2yl)sulfanyl)acetyl)amino)thiophene2carboxylate
methyl3((2((5(3chloro4methylphenyl)sulfonyl6oxo1Hpyrimidin2yl)sulfanyl)acetyl)amino)thiophene2carboxylate
MFCD20734690
ZINC000046016328
ZINC46016328
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