Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-(3,4,5-trimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK823780
SMILES COc1cc(cc(c1OC)OC)/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 C22H19N3O6S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O6S/c1-27-15-8-12(9-16(28-2)19(15)29-3)10-18-21(26)25-22(32-18)23-20(24-25)17-11-30-13-6-4-5-7-14(13)31-17/h4-10,17H,11H2,1-3H3/b18-10-InChIKey
WSLJYRFGWXGQRY-ZDLGFXPLSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5(345trimethoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23DIHYDRO14BENZODIOXIN3YL)5((345TRIMETHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
COc1cc(cc(c1OC)OC)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC22H19N3O6Sc12715812(916(282)19(15)293)101821(26)2522(3218)2320(2425)17113013645714(13)3117h41017H11H213H3b1810
MFCD03533194
ZINC000020035388
ZINC000020035392
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