Vitas-M small molecule compound
(5Z)-5-(3-chlorobenzylidene)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK823785
SMILES Clc1cccc(c1)/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 C19H12ClN3O3S MW 397.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12ClN3O3S/c20-12-5-3-4-11(8-12)9-16-18(24)23-19(27-16)21-17(22-23)15-10-25-13-6-1-2-7-14(13)26-15/h1-9,15H,10H2/b16-9-InChIKey
ICYIBZLUKGNOGC-SXGWCWSVSA-NSynonyms
(5Z)5((3chlorophenyl)methylidene)2(23dihydro14benzodioxin3yl)(13)thiazolo(32b)(124)triazol6one
(5Z)5(3chlorobenzylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
C1C(OC2=CC=CC=C2O1)C3=NN4C(=O)C(=CC5=CC(=CC=C5)Cl)SC4=N3
Clc1cccc(c1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC19H12ClN3O3Sc201253411(812)91618(24)2319(2716)2117(2223)15102513612714(13)2615h1915H10H2b169
MFCD18075689
ZINC000027021058
ZINC000027021063
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