Vitas-M small molecule compound
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK154177
SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CSc1nnc(n1C)c1cccc(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 C21H21ClN6O3S MW 472.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O3S/c1-25-20(15-4-2-7-18(12-15)28(30)31)23-24-21(25)32-14-19(29)27-10-8-26(9-11-27)17-6-3-5-16(22)13-17/h2-7,12-13H,8-11,14H2,1H3InChIKey
PSCNHOOHQBECPP-UHFFFAOYSA-NSynonyms
1(4(3CHLOROPHENYL)PIPERAZIN1YL)2((4METHYL5(3NITROPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(4(3CHLOROPHENYL)PIPERAZIN1YL)2((4METHYL5(3NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
Clc1cccc(c1)N1CCN(CC1)C(=O)CSc1nnc(n1C)c1cccc(c1)(N+)(=O)(O)
CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H21ClN6O3Sc12520(1542718(1215)28(30)31)232421(25)321419(29)2710826(91127)1763516(22)1317h271213H81114H21H3
MFCD03870407
ZINC000009721049
ZINC09721049
ZINC9721049
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