Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-(4-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK705255
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1ccc(cc1)[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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-2-3-12-29-17-10-6-15(7-11-17)19-22-21-24(23-19)20(26)18(30-21)13-14-4-8-16(9-5-14)25(27)28/h4-11,13H,2-3,12H2,1H3/b18-13-InChIKey
PPZYEVVLVISQIM-AQTBWJFISA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((4NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4butoxyphenyl)5(4nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)(N+)(=O)(O))SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccc(cc1)(N+)(=O)(O))c2=O
InChI=1SC21H18N4O4Sc12312291710615(71117)19222124(2319)20(26)18(3021)13144816(9514)25(27)28h41113H2312H21H3b1813
MFCD04446764
ZINC000003636961
ZINC03636961
ZINC3636961
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