Vitas-M small molecule compound
4-nitro-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]benzene-1,2-dicarbonitrile
Catalog ID
STK778213
SMILES N#Cc1cc(N2CCN(CC2)c2scc(n2)c2ccccc2)c(cc1C#N)[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 C21H16N6O2S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O2S/c22-12-16-10-19(20(27(28)29)11-17(16)13-23)25-6-8-26(9-7-25)21-24-18(14-30-21)15-4-2-1-3-5-15/h1-5,10-11,14H,6-9H2InChIKey
ARBCXVYWRRWFJG-UHFFFAOYSA-NSynonyms
4nitro5(4(4phenyl13thiazol2yl)piperazin1yl)benzene12dicarbonitrile
C1CN(CCN1C2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O))C3=NC(=CS3)C4=CC=CC=C4
InChI=1SC21H16N6O2Sc2212161019(20(27(28)29)1117(16)1323)256826(9725)212418(143021)154213515h15101114H69H2
MFCD05855971
N#Cc1cc(N2CCN(CC2)c2scc(n2)c2ccccc2)c(cc1C#N)(N+)(=O)(O)
ZINC000012377021
ZINC12377021
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