Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK797595
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(o1)c1ccccc1[N+](=O)[O-])/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 C25H20N4O5S MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O5S/c1-2-3-14-33-17-10-8-16(9-11-17)23-26-25-28(27-23)24(30)22(35-25)15-18-12-13-21(34-18)19-6-4-5-7-20(19)29(31)32/h4-13,15H,2-3,14H2,1H3/b22-15-InChIKey
UKCKAQSHHCUVAP-JCMHNJIXSA-NSynonyms
(5Z)2(4butoxyphenyl)5((5(2nitrophenyl)furan2yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5(N+)(=O)(O))SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(o1)c1ccccc1(N+)(=O)(O))c2=O
InChI=1SC25H20N4O5Sc12314331710816(91117)23262528(2723)24(30)22(3525)1518121321(3418)19645720(19)29(31)32h41315H2314H21H3b2215
MFCD03141201
ZINC000002699544
ZINC02699544
ZINC2699544
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