Vitas-M small molecule compound
3-(2-chloro-5-nitrophenyl)-3-({[4-methoxy-2-(methylsulfanyl)phenyl]carbonyl}amino)propanoic acid
Catalog ID
STK683247
SMILES COc1ccc(c(c1)SC)C(=O)NC(c1cc(ccc1Cl)[N+](=O)[O-])CC(=O)O
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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 C18H17ClN2O6S MW 424.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O6S/c1-27-11-4-5-12(16(8-11)28-2)18(24)20-15(9-17(22)23)13-7-10(21(25)26)3-6-14(13)19/h3-8,15H,9H2,1-2H3,(H,20,24)(H,22,23)InChIKey
WABUDRQBNGLDBU-UHFFFAOYSA-NSynonyms
3(2chloro5nitrophenyl)3(((4methoxy2(methylsulfanyl)phenyl)carbonyl)amino)propanoicacid
3(2CHLORO5NITROPHENYL)3((4METHOXY2(METHYLTHIO)BENZOYL)AMINO)PROPANOICACID
3(2CHLORO5NITROPHENYL)3((4METHOXY2METHYLSULFANYLBENZOYL)AMINO)PROPANOICACID
COC1=CC(=C(C=C1)C(=O)NC(CC(=O)O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl)SC
COc1ccc(c(c1)SC)C(=O)NC(c1cc(ccc1Cl)(N+)(=O)(O))CC(=O)O
InChI=1SC18H17ClN2O6Sc127114512(16(811)282)18(24)2015(917(22)23)13710(21(25)26)3614(13)19h3815H9H212H3(H2024)(H2223)
MFCD05257153
ZINC000012420074
ZINC000012420077
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