Vitas-M small molecule compound
2-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)benzoic acid
Catalog ID
STK328825
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1ccccc1C(=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 C16H14N2O6S MW 362.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O6S/c1-24-10-6-7-12(13(8-10)18(22)23)17-15(19)9-25-14-5-3-2-4-11(14)16(20)21/h2-8H,9H2,1H3,(H,17,19)(H,20,21)InChIKey
HNEJERAUWLWNPG-UHFFFAOYSA-NSynonyms
728035-25-42((2((4methoxy2nitrophenyl)amino)2oxoethyl)sulfanyl)benzoicacid
2(2(4METHOXY2NITROANILINO)2OXOETHYL)SULFANYLBENZOICACID
728035254
COC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1ccccc1C(=O)O
InChI=1SC16H14N2O6Sc124106712(13(810)18(22)23)1715(19)92514532411(14)16(20)21h28H9H21H3(H1719)(H2021)
MFCD06017176
ZINC000004727919
ZINC4727919
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