Vitas-M small molecule compound
3-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-3-(3-nitrophenyl)propanoic acid
Catalog ID
STK682719
SMILES OC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)c1sc2c(c1Cl)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 C18H13ClN2O5S MW 404.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O5S/c19-16-12-6-1-2-7-14(12)27-17(16)18(24)20-13(9-15(22)23)10-4-3-5-11(8-10)21(25)26/h1-8,13H,9H2,(H,20,24)(H,22,23)InChIKey
WBZZLPSIKRXNBE-UHFFFAOYSA-NSynonyms
3(((3chloro1benzothiophen2yl)carbonyl)amino)3(3nitrophenyl)propanoicacid
3((3CHLORO1BENZOTHIOPHENE2CARBONYL)AMINO)3(3NITROPHENYL)PROPANOICACID
3((3CHLOROBENZO(B)THIOPHEN2YL)CARBONYLAMINO)3(3NITROPHENYL)PROPANOICACID
C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)(N+)(=O)(O))Cl
InChI=1SC18H13ClN2O5Sc191612612714(12)2717(16)18(24)2013(915(22)23)1043511(810)21(25)26h1813H9H2(H2024)(H2223)
MFCD03197973
OC(=O)CC(c1cccc(c1)(N+)(=O)(O))NC(=O)c1sc2c(c1Cl)cccc2
ZINC000004653704
ZINC000004653705
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