Vitas-M small molecule compound
3-[(3-chlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazole
Catalog ID
STK132905
SMILES Clc1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccc(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 C21H15ClN4O2S MW 422.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O2S/c22-17-6-4-5-15(13-17)14-29-21-24-23-20(25(21)18-7-2-1-3-8-18)16-9-11-19(12-10-16)26(27)28/h1-13H,14H2InChIKey
WITHYCYCRBMDQM-UHFFFAOYSA-NSynonyms
3((3CHLOROBENZYL)SULFANYL)5(4NITROPHENYL)4PHENYL4H124TRIAZOLE
3((3CHLOROPHENYL)METHYLSULFANYL)5(4NITROPHENYL)4PHENYL124TRIAZOLE
C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H15ClN4O2Sc221764515(1317)142921242320(25(21)187213818)1691119(121016)26(27)28h113H14H2
MFCD03870418
ZINC000002842072
ZINC02842072
ZINC2842072
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