Vitas-M small molecule compound

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

Catalog ID
STK021587
SMILES O=C(N1CCN(CC1)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 C21H22N6O3S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S/c1-24-20(16-7-9-18(10-8-16)27(29)30)22-23-21(24)31-15-19(28)26-13-11-25(12-14-26)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKey
GBGXHVOXMVHKSL-UHFFFAOYSA-N
Synonyms
498568-32-4
2((4METHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((4METHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((4methyl5(4nitrophenyl)4H124triazol3yl)thio)1(4phenylpiperazin1yl)ethanone
498568324
CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H22N6O3Sc12420(167918(10816)27(29)30)222321(24)311519(28)26131125(121426)175324617h210H1115H21H3
MFCD03301936
O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O)
STK021587
ZINC000008986547
ZINC08986547
ZINC8986547

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Available files

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