Vitas-M small molecule compound
5-bromo-2-({[(4-nitrobenzyl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STK284377
SMILES O=C(Nc1ccc(cc1C(=O)O)Br)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 C16H13BrN2O5S MW 425.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN2O5S/c17-11-3-6-14(13(7-11)16(21)22)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
SZEOKKQNLLKUDW-UHFFFAOYSA-NSynonyms
5bromo2((((4nitrobenzyl)sulfanyl)acetyl)amino)benzoicacid
5BROMO2((2((4NITROPHENYL)METHYLSULFANYL)ACETYL)AMINO)BENZOICACID
C1=CC(=CC=C1CSCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)(N+)(=O)(O)
InChI=1SC16H13BrN2O5Sc17113614(13(711)16(21)22)1815(20)9258101412(5210)19(23)24h17H89H2(H1820)(H2122)
MFCD06092378
O=C(Nc1ccc(cc1C(=O)O)Br)CSCc1ccc(cc1)(N+)(=O)(O)
ZINC000002878171
ZINC2878171
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