Vitas-M small molecule compound
2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK154242
SMILES O=C(N1CCN(CC1)c1ccccc1)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 C26H24N6O3S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O3S/c33-24(30-17-15-29(16-18-30)21-7-3-1-4-8-21)19-36-26-28-27-25(31(26)22-9-5-2-6-10-22)20-11-13-23(14-12-20)32(34)35/h1-14H,15-19H2InChIKey
NPZHVEBXTWDUTC-UHFFFAOYSA-NSynonyms
2((5(4NITROPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5(4NITROPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC26H24N6O3Sc3324(30171529(161830)217314821)193626282725(31(26)2295261022)20111323(141220)32(34)35h114H1519H2
MFCD03877024
O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000009721051
ZINC09721051
ZINC9721051
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