Vitas-M small molecule compound
methyl 2-[({5-chloro-2-[(4-methylbenzyl)sulfanyl]pyrimidin-4-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK912623
SMILES COC(=O)c1c(NC(=O)c2nc(SCc3ccc(cc3)C)ncc2Cl)sc2c1CCCC2
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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 C23H22ClN3O3S2 MW 488.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O3S2/c1-13-7-9-14(10-8-13)12-31-23-25-11-16(24)19(26-23)20(28)27-21-18(22(29)30-2)15-5-3-4-6-17(15)32-21/h7-11H,3-6,12H2,1-2H3,(H,27,28)InChIKey
NGRFJEWNNWZRGA-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)Cl
InChI=1SC23H22ClN3O3S2c1137914(10813)123123251116(24)19(2623)20(28)272118(22(29)302)15534617(15)3221h711H3612H212H3(H2728)
methyl2(((5chloro2((4methylbenzyl)sulfanyl)pyrimidin4yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((5chloro2((4methylphenyl)methylsulfanyl)pyrimidine4carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD07427577
ZINC000008613745
ZINC08613745
ZINC8613745
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