Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904956
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)Cl)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 C30H24ClN5O2S MW 554.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClN5O2S/c1-2-3-17-38-25-15-11-21(12-16-25)28-32-30-36(34-28)29(37)26(39-30)18-22-19-35(24-7-5-4-6-8-24)33-27(22)20-9-13-23(31)14-10-20/h4-16,18-19H,2-3,17H2,1H3/b26-18-InChIKey
NQUQOAUJVTZQRW-ITYLOYPMSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)Cl)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1)c2=O
InChI=1SC30H24ClN5O2Sc123173825151121(121625)28323036(3428)29(37)26(3930)18221935(247546824)3327(22)2091323(31)141020h4161819H2317H21H3b2618
MFCD03497668
ZINC000097947363
ZINC97947363
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