Vitas-M small molecule compound
(5Z)-5-(5-bromo-2-methoxybenzylidene)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816439
SMILES COc1ccc(cc1/C=c/1\sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)Br
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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 C20H14BrN3O4S MW 472.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrN3O4S/c1-26-13-7-6-12(21)8-11(13)9-17-19(25)24-20(29-17)22-18(23-24)16-10-27-14-4-2-3-5-15(14)28-16/h2-9,16H,10H2,1H3/b17-9-InChIKey
NGSQEFHLGPZZKK-MFOYZWKCSA-NSynonyms
(5Z)5((5BROMO2METHOXYPHENYL)METHYLIDENE)2(23DIHYDRO14BENZODIOXIN3YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(5bromo2methoxybenzylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
COC1=C(C=C(C=C1)Br)C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
COc1ccc(cc1C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2)Br
InChI=1SC20H14BrN3O4Sc126137612(21)811(13)91719(25)2420(2917)2218(2324)16102714423515(14)2816h2916H10H21H3b179
MFCD03533228
ZINC000016266652
ZINC000016266656
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