Vitas-M small molecule compound
methyl 2-[({5-chloro-2-[(4-methylbenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK911997
SMILES COC(=O)c1c(NC(=O)c2nc(SCc3ccc(cc3)C)ncc2Cl)sc2c1CCC2
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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 C22H20ClN3O3S2 MW 474.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3S2/c1-12-6-8-13(9-7-12)11-30-22-24-10-15(23)18(25-22)19(27)26-20-17(21(28)29-2)14-4-3-5-16(14)31-20/h6-10H,3-5,11H2,1-2H3,(H,26,27)InChIKey
IDIAGCYLKQGVIZ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)Cl
InChI=1SC22H20ClN3O3S2c1126813(9712)113022241015(23)18(2522)19(27)262017(21(28)292)1443516(14)3120h610H3511H212H3(H2627)
methyl2(((5chloro2((4methylbenzyl)sulfanyl)pyrimidin4yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2((5chloro2((4methylphenyl)methylsulfanyl)pyrimidine4carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD07426919
ZINC000008916539
ZINC08916539
ZINC8916539
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