Vitas-M small molecule compound
(5Z)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704095
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)C)OC)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 C31H27N5O3S MW 549.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27N5O3S/c1-4-16-39-25-13-10-21(11-14-25)29-32-31-36(34-29)30(37)27(40-31)18-23-19-35(24-8-6-5-7-9-24)33-28(23)22-12-15-26(38-3)20(2)17-22/h5-15,17-19H,4,16H2,1-3H3/b27-18-InChIKey
SSXUVBHTIGFVOO-IMRQLAEWSA-NSynonyms
(5Z)5((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OC)C)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)C)OC)c1ccccc1)c2=O
InChI=1SC31H27N5O3Sc14163925131021(111425)29323136(3429)30(37)27(4031)18231935(248657924)3328(23)22121526(383)20(2)1722h5151719H416H213H3b2718
MFCD03534647
ZINC000097946671
ZINC97946671
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