Vitas-M small molecule compound
(5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-(2-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817008
SMILES [O-][N+](=O)c1ccccc1/C=c\1/sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
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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 C19H12N4O5S MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12N4O5S/c24-18-16(9-11-5-1-2-6-12(11)23(25)26)29-19-20-17(21-22(18)19)15-10-27-13-7-3-4-8-14(13)28-15/h1-9,15H,10H2/b16-9+InChIKey
DTFDUCAYCHDZSA-CXUHLZMHSA-NSynonyms
(5E)2(23dihydro14benzodioxin2yl)5(2nitrobenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)2(23DIHYDRO14BENZODIOXIN3YL)5((2NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(O)(N+)(=O)c1ccccc1C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
C1C(OC2=CC=CC=C2O1)C3=NN4C(=O)C(=CC5=CC=CC=C5(N+)(=O)(O))SC4=N3
InChI=1SC19H12N4O5Sc241816(911512612(11)23(25)26)29192017(2122(18)19)15102713734814(13)2815h1915H10H2b169+
MFCD04446205
ZINC000001128589
ZINC000001128592
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