Vitas-M small molecule compound
2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK137528
SMILES O=C(c1ccccc1)CSc1nnc(n1Cc1ccccc1)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 C23H18N4O3S MW 430.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O3S/c28-21(18-9-5-2-6-10-18)16-31-23-25-24-22(19-11-13-20(14-12-19)27(29)30)26(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2InChIKey
CLOQEJBTWYMJNT-UHFFFAOYSA-NSynonyms
2((4BENZYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((4BENZYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H18N4O3Sc2821(1895261018)163123252422(19111320(141219)27(29)30)26(23)15177314817h114H1516H2
MFCD03877040
O=C(c1ccccc1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000002836287
ZINC02836287
ZINC2836287
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