Vitas-M small molecule compound
(5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-(4-ethylbenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK817019
SMILES CCc1ccc(cc1)/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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-2-13-7-9-14(10-8-13)11-18-20(25)24-21(28-18)22-19(23-24)17-12-26-15-5-3-4-6-16(15)27-17/h3-11,17H,2,12H2,1H3/b18-11+InChIKey
DNEJOCDEYNQOLW-WOJGMQOQSA-NSynonyms
(5E)2(23dihydro14benzodioxin2yl)5(4ethylbenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5E)2(23DIHYDRO14BENZODIOXIN3YL)5((4ETHYLPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
CCc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC21H17N3O3Sc12137914(10813)111820(25)2421(2818)2219(2324)17122615534616(15)2717h31117H212H21H3b1811+
MFCD04446215
ZINC000002701848
ZINC000016733875
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