Vitas-M small molecule compound
(5Z)-2-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-5-(4-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STL402900
SMILES Cn1nc(c(c1)CN1CCN(CC1)C1=NC(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/S1)C
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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 C20H22N6O3S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O3S/c1-14-16(12-23(2)22-14)13-24-7-9-25(10-8-24)20-21-19(27)18(30-20)11-15-3-5-17(6-4-15)26(28)29/h3-6,11-12H,7-10,13H2,1-2H3/b18-11-InChIKey
NOHCUKXDZMSVEG-WQRHYEAKSA-NSynonyms
1020723-32-3(5Z)2(4((13dimethyl1Hpyrazol4yl)methyl)piperazin1yl)5(4nitrobenzylidene)13thiazol4(5H)one
(5Z)2(4((13dimethylpyrazol4yl)methyl)piperazin1yl)5((4nitrophenyl)methylidene)13thiazol4one
1020723323
CC1=NN(C=C1CN2CCN(CC2)C3=NC(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))S3)C
Cn1nc(c(c1)CN1CCN(CC1)C1=NC(=O)C(=Cc2ccc(cc2)(N+)(=O)(O))S1)C
InChI=1SC20H22N6O3Sc11416(1223(2)2214)13247925(10824)202119(27)18(3020)11153517(6415)26(28)29h361112H71013H212H3b1811
MFCD08557779
ZINC000020606645
ZINC20606645
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