Vitas-M small molecule compound
4-{4-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
Catalog ID
STL354099
SMILES Cc1cccc(c1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccncc1
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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 C21H17N5O2S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O2S/c1-15-3-2-4-19(13-15)25-20(17-9-11-22-12-10-17)23-24-21(25)29-14-16-5-7-18(8-6-16)26(27)28/h2-13H,14H2,1H3InChIKey
QRJHWAFYWLROKG-UHFFFAOYSA-NSynonyms
4(4(3methylphenyl)5((4nitrobenzyl)sulfanyl)4H124triazol3yl)pyridine
4(4(3METHYLPHENYL)5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)PYRIDINE
CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=NC=C4
Cc1cccc(c1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1c1ccncc1
InChI=1SC21H17N5O2Sc11532419(1315)2520(1791122121017)232421(25)2914165718(8616)26(27)28h213H14H21H3
MFCD03996352
ZINC000002837144
ZINC02837144
ZINC2837144
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