Vitas-M small molecule compound
3-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole
Catalog ID
STK133180
SMILES Clc1cccc(c1CSc1nnc(n1C)Cc1cccc2c1cccc2)[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 C21H17ClN4O2S MW 424.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O2S/c1-25-20(12-15-8-4-7-14-6-2-3-9-16(14)15)23-24-21(25)29-13-17-18(22)10-5-11-19(17)26(27)28/h2-11H,12-13H2,1H3InChIKey
ZPWVFWPBBKYPBQ-UHFFFAOYSA-NSynonyms
3((2CHLORO6NITROBENZYL)SULFANYL)4METHYL5(NAPHTHALEN1YLMETHYL)4H124TRIAZOLE
3((2CHLORO6NITROPHENYL)METHYLSULFANYL)4METHYL5(NAPHTHALEN1YLMETHYL)124TRIAZOLE
Clc1cccc(c1CSc1nnc(n1C)Cc1cccc2c1cccc2)(N+)(=O)(O)
CN1C(=NN=C1SCC2=C(C=CC=C2Cl)(N+)(=O)(O))CC3=CC=CC4=CC=CC=C43
InChI=1SC21H17ClN4O2Sc12520(121584714623916(14)15)232421(25)29131718(22)1051119(17)26(27)28h211H1213H21H3
MFCD04209767
ZINC000001144489
ZINC01144489
ZINC1144489
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