Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800641
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)OCC=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 C33H29N5O3S MW 575.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O3S/c1-3-5-20-41-28-17-13-24(14-18-28)31-34-33-38(36-31)32(39)29(42-33)21-25-22-37(26-9-7-6-8-10-26)35-30(25)23-11-15-27(16-12-23)40-19-4-2/h4,6-18,21-22H,2-3,5,19-20H2,1H3/b29-21-InChIKey
NGERBGIOOAGALK-ANYBSYGZSA-NSynonyms
(5Z)2(4butoxyphenyl)5((1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((1PHENYL3(4PROP2ENOXYPHENYL)PYRAZOL4YL)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)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)OCC=C)c1ccccc1)c2=O
InChI=1SC33H29N5O3Sc135204128171324(141828)31343338(3631)32(39)29(4233)21252237(2697681026)3530(25)23111527(161223)401942h46182122H2351920H21H3b2921
MFCD03534834
ZINC000097946843
ZINC97946843
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