Vitas-M small molecule compound
trans-4-{[(N-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-methionyl)amino]methyl}cyclohexanecarboxylic acid
Catalog ID
STL531217
SMILES CSCC[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(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 C28H41N3O6S MW 547.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41N3O6S/c1-28(2,3)37-27(36)31-17-21-8-6-5-7-20(21)15-23(31)25(33)30-22(13-14-38-4)24(32)29-16-18-9-11-19(12-10-18)26(34)35/h5-8,18-19,22-23H,9-17H2,1-4H3,(H,29,32)(H,30,33)(H,34,35)/t18-,19-,22-,23-/m0/s1InChIKey
MBSFIHXGCSJSQZ-ZZTDLJEGSA-NSynonyms
(1S4r)4(((S)2((S)2(tertbutoxycarbonyl)1234tetrahydroisoquinoline3carboxamido)4(methylthio)butanamido)methyl)cyclohexanecarboxylicacid
CSCC(C@@H)(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O)NC(=O)(C@@H)1Cc2ccccc2CN1C(=O)OC(C)(C)C
InChI=1SC28H41N3O6Sc128(23)3727(36)311721865720(21)1523(31)25(33)3022(1314384)24(32)29161891119(121018)26(34)35h5818192223H917H214H3(H2932)(H3033)(H3435)t18192223m0s1
trans4(((N(((3S)2(tertbutoxycarbonyl)1234tetrahydroisoquinolin3yl)carbonyl)Lmethionyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000252694554
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