Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904952
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1C)OCCCC)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 C35H35N5O3S MW 605.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N5O3S/c1-4-6-19-42-28-15-13-25(14-16-28)33-36-35-40(38-33)34(41)31(44-35)22-26-23-39(27-11-9-8-10-12-27)37-32(26)30-18-17-29(21-24(30)3)43-20-7-5-2/h8-18,21-23H,4-7,19-20H2,1-3H3/b31-22-InChIKey
QSDWKXOCSXCJAD-VAMRJTSQSA-NSynonyms
(5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4BUTOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=C(C=C(C=C5)OCCCC)C)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1C)OCCCC)c1ccccc1)c2=O
InChI=1SC35H35N5O3Sc146194228151325(141628)33363540(3833)34(41)31(4435)22262339(271198101227)3732(26)30181729(2124(30)3)4320752h8182123H471920H213H3b3122
MFCD03534760
ZINC000097947359
ZINC97947359
Check stock
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