Vitas-M small molecule compound
(5Z)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-(3-phenoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK823774
SMILES O=c1/c(=C/c2cccc(c2)Oc2ccccc2)/sc2n1nc(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 C25H17N3O4S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O4S/c29-24-22(14-16-7-6-10-18(13-16)31-17-8-2-1-3-9-17)33-25-26-23(27-28(24)25)21-15-30-19-11-4-5-12-20(19)32-21/h1-14,21H,15H2/b22-14-InChIKey
GGYSPNLGKHMSHQ-HMAPJEAMSA-NSynonyms
(5Z)2(23dihydro14benzodioxin2yl)5(3phenoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(23dihydro14benzodioxin3yl)5((3phenoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
C1C(OC2=CC=CC=C2O1)C3=NN4C(=O)C(=CC5=CC(=CC=C5)OC6=CC=CC=C6)SC4=N3
InChI=1SC25H17N3O4Sc292422(1416761018(1316)31178213917)33252623(2728(24)25)2115301911451220(19)3221h11421H15H2b2214
MFCD18075679
O=c1c(=Cc2cccc(c2)Oc2ccccc2)sc2n1nc(n2)C1COc2c(O1)cccc2
ZINC000027020973
ZINC000027020980
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