Vitas-M small molecule compound
2-chloro-5-{5-[(4-nitrobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoic acid
Catalog ID
STL241114
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnnn1c1ccc(c(c1)C(=O)O)Cl
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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 C15H10ClN5O4S MW 391.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10ClN5O4S/c16-13-6-5-11(7-12(13)14(22)23)20-15(17-18-19-20)26-8-9-1-3-10(4-2-9)21(24)25/h1-7H,8H2,(H,22,23)InChIKey
BHLZDAYZLPOUHL-UHFFFAOYSA-NSynonyms
672279-43-5(O)(N+)(=O)c1ccc(cc1)CSc1nnnn1c1ccc(c(c1)C(=O)O)Cl
2chloro5(5((4nitrobenzyl)sulfanyl)1Htetrazol1yl)benzoicacid
2chloro5(5((4nitrobenzyl)thio)1Htetrazol1yl)benzoicacid
2CHLORO5(5((4NITROPHENYL)METHYLSULFANYL)TETRAZOL1YL)BENZOICACID
672279435
C1=CC(=CC=C1CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O)(N+)(=O)(O)
InChI=1SC15H10ClN5O4Sc16136511(712(13)14(22)23)2015(17181920)26891310(429)21(24)25h17H8H2(H2223)
MFCD03196853
ZINC000001815911
ZINC1815911
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