Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[2-(hexyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK516278
SMILES CCCCCCOc1ccccc1/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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-2-3-4-9-14-30-18-11-6-5-10-17(18)15-22-24(29)28-25(33-22)26-23(27-28)21-16-31-19-12-7-8-13-20(19)32-21/h5-8,10-13,15,21H,2-4,9,14,16H2,1H3/b22-15-InChIKey
FZPNSAPXRYKGQF-JCMHNJIXSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5(2(hexyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23dihydro14benzodioxin3yl)5((2hexoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
CCCCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2
CCCCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC25H25N3O4Sc1234914301811651017(18)152224(29)2825(3322)2623(2728)2116311912781320(19)3221h5810131521H2491416H21H3b2215
MFCD06645591
ZINC000016742280
ZINC000016742281
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