Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904963
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)/c2=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 C30H24N6O4S MW 564.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N6O4S/c1-2-3-17-40-25-15-11-21(12-16-25)28-31-30-35(33-28)29(37)26(41-30)18-22-19-34(23-7-5-4-6-8-23)32-27(22)20-9-13-24(14-10-20)36(38)39/h4-16,18-19H,2-3,17H2,1H3/b26-18-InChIKey
ROOWNTAFIOJUMF-ITYLOYPMSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(4nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(4NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)(N+)(=O)(O))C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)(N+)(=O)(O))c1ccccc1)c2=O
InChI=1SC30H24N6O4Sc123174025151121(121625)28313035(3328)29(37)26(4130)18221934(237546823)3227(22)2091324(141020)36(38)39h4161819H2317H21H3b2618
MFCD03534428
ZINC000100847589
ZINC100847589
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