Vitas-M small molecule compound
(5Z)-5-(2,3-dimethoxybenzylidene)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515932
SMILES COc1cc(/C=C/c2nn3c(n2)s/c(=C\c2cccc(c2OC)OC)/c3=O)ccc1OC
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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 C23H21N3O5S MW 451.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5S/c1-28-16-10-8-14(12-18(16)30-3)9-11-20-24-23-26(25-20)22(27)19(32-23)13-15-6-5-7-17(29-2)21(15)31-4/h5-13H,1-4H3/b11-9+,19-13-InChIKey
NOCLVGQYJSAKSG-YOAWELAASA-NSynonyms
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5((23dimethoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)5(23dimethoxybenzylidene)2((E)2(34dimethoxyphenyl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
COC1=C(C=C(C=C1)C=CC2=NN3C(=O)C(=CC4=C(C(=CC=C4)OC)OC)SC3=N2)OC
COc1cc(C=Cc2nn3c(n2)sc(=Cc2cccc(c2OC)OC)c3=O)ccc1OC
InChI=1SC23H21N3O5Sc1281610814(1218(16)303)91120242326(2520)22(27)19(3223)131565717(292)21(15)314h513H14H3b119+1913
MFCD06645458
ZINC000016742150
ZINC16742150
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