Vitas-M small molecule compound
2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone
Catalog ID
STK147461
SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1c1ccc(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 C23H24N6O3S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N6O3S/c1-2-12-28-22(18-8-10-20(11-9-18)29(31)32)24-25-23(28)33-17-21(30)27-15-13-26(14-16-27)19-6-4-3-5-7-19/h2-11H,1,12-17H2InChIKey
NFKNRHAHMPUIPD-UHFFFAOYSA-NSynonyms
2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC23H24N6O3Sc12122822(1881020(11918)29(31)32)242523(28)331721(30)27151326(141627)196435719h211H11217H2
MFCD04385580
ZINC000009601537
ZINC09601537
ZINC9601537
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