Vitas-M small molecule compound
methyl S-benzyl-N-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetyl]cysteinate
Catalog ID
STK786229
SMILES CSCCc1[nH]c(nc1C)SCC(=O)NC(C(=O)OC)CSCc1ccccc1
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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 C20H27N3O3S3 MW 453.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S3/c1-14-16(9-10-27-3)23-20(21-14)29-13-18(24)22-17(19(25)26-2)12-28-11-15-7-5-4-6-8-15/h4-8,17H,9-13H2,1-3H3,(H,21,23)(H,22,24)InChIKey
ROGIGTKNDMMQBW-UHFFFAOYSA-NSynonyms
CC1=C(N=C(N1)SCC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)CCSC
CSCCc1(nH)c(nc1C)SCC(=O)NC(C(=O)OC)CSCc1ccccc1
InChI=1SC20H27N3O3S3c11416(910273)2320(2114)291318(24)2217(19(25)262)122811157546815h4817H913H213H3(H2123)(H2224)
methyl3benzylsulfanyl2((2((5methyl4(2methylsulfanylethyl)1Himidazol2yl)sulfanyl)acetyl)amino)propanoate
methylSbenzylN(((4methyl5(2(methylsulfanyl)ethyl)1Himidazol2yl)sulfanyl)acetyl)cysteinate
MFCD08142924
ZINC000012372039
ZINC000012372040
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