Vitas-M small molecule compound
(5E)-2-(4-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK815115
SMILES COc1cc(cc(c1OC)OC)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)C
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-12-5-7-14(8-6-12)19-22-21-24(23-19)20(25)17(29-21)11-13-9-15(26-2)18(28-4)16(10-13)27-3/h5-11H,1-4H3/b17-11+InChIKey
VADPDSXYKGZBDU-GZTJUZNOSA-NSynonyms
(5E)2(4methylphenyl)5((345trimethoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5E)2(4methylphenyl)5(345trimethoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C(=C4)OC)OC)OC)SC3=N2
COc1cc(cc(c1OC)OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C
InChI=1SC21H19N3O4Sc1125714(8612)19222124(2319)20(25)17(2921)1113915(262)18(284)16(1013)273h511H14H3b1711+
MFCD04442502
ZINC000006477798
ZINC06477798
ZINC6477798
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