Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800093
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)OCC(C)C)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 C34H33N5O3S MW 591.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N5O3S/c1-4-5-19-41-28-17-13-25(14-18-28)32-35-34-39(37-32)33(40)30(43-34)20-26-21-38(27-9-7-6-8-10-27)36-31(26)24-11-15-29(16-12-24)42-22-23(2)3/h6-18,20-21,23H,4-5,19,22H2,1-3H3/b30-20-InChIKey
HXOQGOUWGGVTDQ-COEJQBHMSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC(C)C)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)OCC(C)C)c1ccccc1)c2=O
InChI=1SC34H33N5O3Sc145194128171325(141828)32353439(3732)33(40)30(4334)20262138(2797681027)3631(26)24111529(161224)422223(2)3h618202123H451922H213H3b3020
MFCD03534540
ZINC000097946837
ZINC97946837
Check stock
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Check stock on Vitas-MAvailable files
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