Vitas-M small molecule compound

ethyl 3-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-(2-chlorophenyl)propanoate

Catalog ID
STL287995
SMILES CCOC(=O)CC(c1ccccc1Cl)NC(=O)CSc1nc2c(o1)cccc2

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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 C20H19ClN2O4S MW 418.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O4S/c1-2-26-19(25)11-16(13-7-3-4-8-14(13)21)22-18(24)12-28-20-23-15-9-5-6-10-17(15)27-20/h3-10,16H,2,11-12H2,1H3,(H,22,24)
InChIKey
OYAZSBWXXREERY-UHFFFAOYSA-N
Synonyms

CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CSC2=NC3=CC=CC=C3O2
ethyl3(((13benzoxazol2ylsulfanyl)acetyl)amino)3(2chlorophenyl)propanoate
ethyl3((2(13benzoxazol2ylsulfanyl)acetyl)amino)3(2chlorophenyl)propanoate
InChI=1SC20H19ClN2O4Sc122619(25)1116(13734814(13)21)2218(24)12282023159561017(15)2720h31016H21112H21H3(H2224)
MFCD24847521
ZINC000095482042
ZINC000095482043

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Available files

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