Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904875
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1cccc(c1)[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/c1-2-3-16-40-25-14-12-20(13-15-25)28-31-30-35(33-28)29(37)26(41-30)18-22-19-34(23-9-5-4-6-10-23)32-27(22)21-8-7-11-24(17-21)36(38)39/h4-15,17-19H,2-3,16H2,1H3/b26-18-InChIKey
MBPBQTYOAGZZRS-ITYLOYPMSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=CC=C5)(N+)(=O)(O))C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)c2=O
InChI=1SC30H24N6O4Sc123164025141220(131525)28313035(3328)29(37)26(4130)18221934(2395461023)3227(22)21871124(1721)36(38)39h4151719H2316H21H3b2618
MFCD03534467
ZINC000100847635
ZINC100847635
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