Vitas-M small molecule compound

methyl N-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]-S-benzylcysteinate

Catalog ID
STK780937
SMILES COC(=O)C(NC(=O)CSc1nc2c(o1)cccc2)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 C20H20N2O4S2 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S2/c1-25-19(24)16(12-27-11-14-7-3-2-4-8-14)21-18(23)13-28-20-22-15-9-5-6-10-17(15)26-20/h2-10,16H,11-13H2,1H3,(H,21,23)
InChIKey
RXBFNJOIGJBWKP-UHFFFAOYSA-N
Synonyms

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3O2
InChI=1SC20H20N2O4S2c12519(24)16(122711147324814)2118(23)13282022159561017(15)2620h21016H1113H21H3(H2123)
METHYL2((2(13BENZOXAZOL2YLSULFANYL)ACETYL)AMINO)3BENZYLSULFANYLPROPANOATE
methylN((13benzoxazol2ylsulfanyl)acetyl)Sbenzylcysteinate
MFCD06014043
ZINC000004718106
ZINC000004718107

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Available files

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