Vitas-M small molecule compound
methyl N-({[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetyl)phenylalaninate
Catalog ID
STK293354
SMILES COC(=O)C(Cc1ccccc1)NC(=O)CSc1nc(c([nH]1)CC(C)C)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 C20H27N3O3S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S/c1-13(2)10-16-14(3)21-20(23-16)27-12-18(24)22-17(19(25)26-4)11-15-8-6-5-7-9-15/h5-9,13,17H,10-12H2,1-4H3,(H,21,23)(H,22,24)InChIKey
FVGVMNSOPRLGNS-UHFFFAOYSA-NSynonyms
CC1=C(N=C(N1)SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)CC(C)C
COC(=O)C(Cc1ccccc1)NC(=O)CSc1nc(c((nH)1)CC(C)C)C
InChI=1SC20H27N3O3Sc113(2)101614(3)2120(2316)271218(24)2217(19(25)264)11158657915h591317H1012H214H3(H2123)(H2224)
METHYL2((2((5METHYL4(2METHYLPROPYL)1HIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)3PHENYLPROPANOATE
methylN(((4methyl5(2methylpropyl)1Himidazol2yl)sulfanyl)acetyl)phenylalaninate
MFCD06616708
ZINC000004625822
ZINC000004625824
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