Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-(2,4-dimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK823778
SMILES COc1cc(OC)ccc1/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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-26-13-8-7-12(16(10-13)27-2)9-18-20(25)24-21(30-18)22-19(23-24)17-11-28-14-5-3-4-6-15(14)29-17/h3-10,17H,11H2,1-2H3/b18-9-InChIKey
KDJNCTCUNMGKOV-NVMNQCDNSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5(24dimethoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23dihydro14benzodioxin3yl)5((24dimethoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
COC1=CC(=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OC
COc1cc(OC)ccc1C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC21H17N3O5Sc126138712(16(1013)272)91820(25)2421(3018)2219(2324)17112814534615(14)2917h31017H11H212H3b189
MFCD18075683
ZINC000027021008
ZINC000027021011
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