Vitas-M small molecule compound

methyl N-[({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)acetyl]phenylalaninate

Catalog ID
STK226549
SMILES CSCCc1[nH]c(nc1C)SCC(=O)NC(C(=O)OC)Cc1ccccc1

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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 C19H25N3O3S2 MW 407.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S2/c1-13-15(9-10-26-3)22-19(20-13)27-12-17(23)21-16(18(24)25-2)11-14-7-5-4-6-8-14/h4-8,16H,9-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKey
JNVXIHRTMMJJRU-UHFFFAOYSA-N
Synonyms

CC1=C(N=C(N1)SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)CCSC
CSCCc1(nH)c(nc1C)SCC(=O)NC(C(=O)OC)Cc1ccccc1
InChI=1SC19H25N3O3S2c11315(910263)2219(2013)271217(23)2116(18(24)252)11147546814h4816H912H213H3(H2022)(H2123)
METHYL2((2((5METHYL4(2METHYLSULFANYLETHYL)1HIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)3PHENYLPROPANOATE
METHYLN(((4METHYL5(2(METHYLSULFANYL)ETHYL)1HIMIDAZOL2YL)SULFANYL)ACETYL)PHENYLALANINATE
METHYLN(((5METHYL4(2(METHYLSULFANYL)ETHYL)1HIMIDAZOL2YL)SULFANYL)ACETYL)PHENYLALANINATE
MFCD08673350
ZINC000004742072
ZINC000004742073

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.