Vitas-M small molecule compound
3-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-3-(4-methoxyphenyl)propanoic acid
Catalog ID
STK682934
SMILES COc1ccc(cc1)C(CC(=O)O)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 C19H18N2O5S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5S/c1-25-13-8-6-12(7-9-13)15(10-18(23)24)20-17(22)11-27-19-21-14-4-2-3-5-16(14)26-19/h2-9,15H,10-11H2,1H3,(H,20,22)(H,23,24)InChIKey
HYGCSHWVGQTQNO-UHFFFAOYSA-NSynonyms
3(((13benzoxazol2ylsulfanyl)acetyl)amino)3(4methoxyphenyl)propanoicacid
3((2(13BENZOXAZOL2YLSULFANYL)ACETYL)AMINO)3(4METHOXYPHENYL)PROPANOICACID
COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CSC2=NC3=CC=CC=C3O2
InChI=1SC19H18N2O5Sc125138612(7913)15(1018(23)24)2017(22)1127192114423516(14)2619h2915H1011H21H3(H2022)(H2324)
MFCD04061375
ZINC000004653860
ZINC000004653861
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