Vitas-M small molecule compound
1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK130331
SMILES CCn1c(SCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)nnc1c1cccc(c1)[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 C29H30N6O3S MW 542.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N6O3S/c1-2-34-28(24-14-9-15-25(20-24)35(37)38)30-31-29(34)39-21-26(36)32-16-18-33(19-17-32)27(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,20,27H,2,16-19,21H2,1H3InChIKey
GRUKQHYUIMQLPY-UHFFFAOYSA-NSynonyms
1(4(DIPHENYLMETHYL)PIPERAZIN1YL)2((4ETHYL5(3NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BENZHYDRYLPIPERAZIN1YL)2((4ETHYL5(3NITROPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O)
CCn1c(SCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)nnc1c1cccc(c1)(N+)(=O)(O)
InChI=1SC29H30N6O3Sc123428(241491525(2024)35(37)38)303129(34)392126(36)32161833(191732)27(22105361122)23127481323h3152027H2161921H21H3
MFCD04347788
ZINC000029492466
ZINC29492466
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