Vitas-M small molecule compound
(5E)-5-benzylidene-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK812859
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=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 C21H19N3O2S MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2S/c1-2-3-13-26-17-11-9-16(10-12-17)19-22-21-24(23-19)20(25)18(27-21)14-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3/b18-14+InChIKey
GNGRRRBUDBEEOB-NBVRZTHBSA-NSynonyms
(5E)5benzylidene2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)5benzylidene2(4butoxyphenyl)(13)thiazolo(32b)(124)triazol6one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1ccccc1)c2=O
InChI=1SC21H19N3O2Sc12313261711916(101217)19222124(2319)20(25)18(2721)14157546815h41214H2313H21H3b1814+
MFCD04445909
ZINC000006323382
ZINC06323382
ZINC6323382
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