Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-(3-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816317
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cccc(c1)[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/c1-2-3-11-29-17-9-7-15(8-10-17)19-22-21-24(23-19)20(26)18(30-21)13-14-5-4-6-16(12-14)25(27)28/h4-10,12-13H,2-3,11H2,1H3/b18-13-InChIKey
KXTZBLVKBJHEPR-AQTBWJFISA-NSynonyms
(5Z)2(4BUTOXYPHENYL)5((3NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4butoxyphenyl)5(3nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cccc(c1)(N+)(=O)(O))c2=O
InChI=1SC21H18N4O4Sc1231129179715(81017)19222124(2319)20(26)18(3021)131454616(1214)25(27)28h4101213H2311H21H3b1813
MFCD03497500
ZINC000003636958
ZINC03636958
ZINC3636958
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