Vitas-M small molecule compound
4-chloro-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK284378
SMILES O=C(Nc1cc(Cl)ccc1C(=O)O)CSCc1ccc(cc1)[N+](=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 C16H13ClN2O5S MW 380.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O5S/c17-11-3-6-13(16(21)22)14(7-11)18-15(20)9-25-8-10-1-4-12(5-2-10)19(23)24/h1-7H,8-9H2,(H,18,20)(H,21,22)InChIKey
XXQIYHWRDBBXSD-UHFFFAOYSA-NSynonyms
4chloro2((((4nitrobenzyl)sulfanyl)acetyl)amino)benzoicacid
4CHLORO2((2((4NITROPHENYL)METHYLSULFANYL)ACETYL)AMINO)BENZOICACID
C1=CC(=CC=C1CSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)(N+)(=O)(O)
InChI=1SC16H13ClN2O5Sc17113613(16(21)22)14(711)1815(20)9258101412(5210)19(23)24h17H89H2(H1820)(H2122)
MFCD06092379
O=C(Nc1cc(Cl)ccc1C(=O)O)CSCc1ccc(cc1)(N+)(=O)(O)
ZINC000004828762
ZINC4828762
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