Vitas-M small molecule compound
{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
Catalog ID
STK271972
SMILES Cc1scc(n1)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[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 C26H26N6O3S MW 502.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O3S/c1-17-14-18(2)31(28-17)25-15-22(8-9-24(25)32(34)35)29-10-12-30(13-11-29)26(33)21-6-4-20(5-7-21)23-16-36-19(3)27-23/h4-9,14-16H,10-13H2,1-3H3InChIKey
KALHNFJVFWZMKW-UHFFFAOYSA-NSynonyms
(4(3(35dimethyl1Hpyrazol1yl)4nitrophenyl)piperazin1yl)(4(2methyl13thiazol4yl)phenyl)methanone
(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)(4(2METHYL13THIAZOL4YL)PHENYL)METHANONE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CSC(=N5)C)(N+)(=O)(O))C
Cc1scc(n1)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O)
InChI=1SC26H26N6O3Sc1171418(2)31(2817)251522(8924(25)32(34)35)29101230(131129)26(33)216420(5721)23163619(3)2723h491416H1013H213H3
MFCD06017268
ZINC000009614321
ZINC09614321
ZINC9614321
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