Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800095
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc3c(c1)cccc3)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 C34H27N5O2S MW 569.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27N5O2S/c1-2-3-19-41-29-17-15-24(16-18-29)32-35-34-39(37-32)33(40)30(42-34)21-27-22-38(28-11-5-4-6-12-28)36-31(27)26-14-13-23-9-7-8-10-25(23)20-26/h4-18,20-22H,2-3,19H2,1H3/b30-21-InChIKey
BORAEBZINJXBMY-OFWBYEQRSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(naphthalen2yl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3NAPHTHALEN2YL1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc3c(c1)cccc3)c1ccccc1)c2=O
InChI=1SC34H27N5O2Sc123194129171524(161829)32353439(3732)33(40)30(4234)21272238(28115461228)3631(27)261413239781025(23)2026h4182022H2319H21H3b3021
MFCD03534365
ZINC000097946701
ZINC97946701
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