Vitas-M small molecule compound
2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK131033
SMILES O=C(N1CCN(CC1)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 C27H26N6O3S MW 514.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N6O3S/c34-25(31-17-15-30(16-18-31)23-9-5-2-6-10-23)20-37-27-29-28-26(22-11-13-24(14-12-22)33(35)36)32(27)19-21-7-3-1-4-8-21/h1-14H,15-20H2InChIKey
YHLCMBCXIRFAOF-UHFFFAOYSA-NSynonyms
2((4BENZYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((4BENZYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC27H26N6O3Sc3425(31171530(161831)2395261023)203727292826(22111324(141222)33(35)36)32(27)19217314821h114H1520H2
MFCD03877076
O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000009850136
ZINC09850136
ZINC9850136
Check stock
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