Vitas-M small molecule compound

tert-butyl [(2S)-1-({[trans-4-(1,3-benzodioxol-5-ylcarbamoyl)cyclohexyl]methyl}amino)-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate

Catalog ID
STK597304
SMILES CSCC[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)Nc1ccc2c(c1)OCO2)NC(=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 C25H37N3O6S MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37N3O6S/c1-25(2,3)34-24(31)28-19(11-12-35-4)23(30)26-14-16-5-7-17(8-6-16)22(29)27-18-9-10-20-21(13-18)33-15-32-20/h9-10,13,16-17,19H,5-8,11-12,14-15H2,1-4H3,(H,26,30)(H,27,29)(H,28,31)/t16-,17-,19-/m0/s1
InChIKey
BEMBZUXVJZVNEC-LNLFQRSKSA-N
Synonyms

CSCC(C@@H)(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)Nc1ccc2c(c1)OCO2)NC(=O)OC(C)(C)C
MFCD06612288
tertbutyl((2S)1(((trans4(13benzodioxol5ylcarbamoyl)cyclohexyl)methyl)amino)4(methylsulfanyl)1oxobutan2yl)carbamate
tertbutyl((S)1((((1r4S)4(benzo(d)(13)dioxol5ylcarbamoyl)cyclohexyl)methyl)amino)4(methylthio)1oxobutan2yl)carbamate
ZINC000245324868

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Available files

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