Vitas-M small molecule compound

1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK154178
SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CSc1nnc(n1C)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 C28H28N6O3S MW 528.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O3S/c1-31-27(23-12-14-24(15-13-23)34(36)37)29-30-28(31)38-20-25(35)32-16-18-33(19-17-32)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,26H,16-20H2,1H3
InChIKey
MGYUMVLHFRZUEK-UHFFFAOYSA-N
Synonyms

1(4(DIPHENYLMETHYL)PIPERAZIN1YL)2((4METHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(4BENZHYDRYLPIPERAZIN1YL)2((4METHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
CN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC28H28N6O3Sc13127(23121424(151323)34(36)37)293028(31)382025(35)32161833(191732)26(218425921)22106371122h21526H1620H21H3
MFCD03870413
O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O)
ZINC000059749638
ZINC59749638

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Available files

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