Vitas-M small molecule compound
3-chloro-5-[(4-methylphenyl)sulfanyl]-1-(4-nitrobenzyl)-1H-1,2,4-triazole
Catalog ID
STK208736
SMILES Cc1ccc(cc1)Sc1nc(nn1Cc1ccc(cc1)[N+](=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 C16H13ClN4O2S MW 360.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN4O2S/c1-11-2-8-14(9-3-11)24-16-18-15(17)19-20(16)10-12-4-6-13(7-5-12)21(22)23/h2-9H,10H2,1H3InChIKey
JXDRNGBYTYFTFM-UHFFFAOYSA-NSynonyms
3CHLORO5((4METHYLPHENYL)SULFANYL)1(4NITROBENZYL)1H124TRIAZOLE
3CHLORO5(4METHYLPHENYL)SULFANYL1((4NITROPHENYL)METHYL)124TRIAZOLE
CC1=CC=C(C=C1)SC2=NC(=NN2CC3=CC=C(C=C3)(N+)(=O)(O))Cl
Cc1ccc(cc1)Sc1nc(nn1Cc1ccc(cc1)(N+)(=O)(O))Cl
InChI=1SC16H13ClN4O2Sc1112814(9311)24161815(17)1920(16)10124613(7512)21(22)23h29H10H21H3
MFCD06193771
ZINC000004776422
ZINC04776422
ZINC4776422
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