Vitas-M small molecule compound
methyl S-benzyl-N-({[5-(4-hydroxybenzyl)-4-methyl-1H-imidazol-2-yl]sulfanyl}acetyl)cysteinate
Catalog ID
STK783772
SMILES COC(=O)C(NC(=O)CSc1nc(c([nH]1)Cc1ccc(cc1)O)C)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 C24H27N3O4S2 MW 485.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O4S2/c1-16-20(12-17-8-10-19(28)11-9-17)27-24(25-16)33-15-22(29)26-21(23(30)31-2)14-32-13-18-6-4-3-5-7-18/h3-11,21,28H,12-15H2,1-2H3,(H,25,27)(H,26,29)InChIKey
NKIJRRBMXNDPKG-UHFFFAOYSA-NSynonyms
CC1=C(N=C(N1)SCC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)CC3=CC=C(C=C3)O
COC(=O)C(NC(=O)CSc1nc(c((nH)1)Cc1ccc(cc1)O)C)CSCc1ccccc1
InChI=1SC24H27N3O4S2c11620(121781019(28)11917)2724(2516)331522(29)2621(23(30)312)143213186435718h3112128H1215H212H3(H2527)(H2629)
METHYL3BENZYLSULFANYL2((2((4((4HYDROXYPHENYL)METHYL)5METHYL1HIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)PROPANOATE
methylSbenzylN(((5(4hydroxybenzyl)4methyl1Himidazol2yl)sulfanyl)acetyl)cysteinate
MFCD06618920
ZINC000012372041
ZINC000012372042
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