Vitas-M small molecule compound
ethyl 3-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-3-(2-chlorophenyl)propanoate
Catalog ID
STL352612
SMILES CCOC(=O)CC(c1ccccc1Cl)NC(=O)CSc1nc2c([nH]1)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 C20H20ClN3O3S MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S/c1-2-27-19(26)11-17(13-7-3-4-8-14(13)21)22-18(25)12-28-20-23-15-9-5-6-10-16(15)24-20/h3-10,17H,2,11-12H2,1H3,(H,22,25)(H,23,24)InChIKey
XYXBGNZJWYDVDQ-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CSC2=NC3=CC=CC=C3N2
CCOC(=O)CC(c1ccccc1Cl)NC(=O)CSc1nc2c((nH)1)cccc2
ethyl3(((1Hbenzimidazol2ylsulfanyl)acetyl)amino)3(2chlorophenyl)propanoate
ethyl3((2(1Hbenzimidazol2ylsulfanyl)acetyl)amino)3(2chlorophenyl)propanoate
InChI=1SC20H20ClN3O3Sc122719(26)1117(13734814(13)21)2218(25)12282023159561016(15)2420h31017H21112H21H3(H2225)(H2324)
MFCD28033455
ZINC000095471383
ZINC000095471384
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