Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK800939
SMILES COc1cc(ccc1OCc1ccccc1)/C=c/1\sc2n(c1=O)nc(n2)c1cc(OC)c(c(c1)OC)OC
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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 C28H25N3O6S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6S/c1-33-21-12-18(10-11-20(21)37-16-17-8-6-5-7-9-17)13-24-27(32)31-28(38-24)29-26(30-31)19-14-22(34-2)25(36-4)23(15-19)35-3/h5-15H,16H2,1-4H3/b24-13-InChIKey
YXCDBLQRCAHKFN-CFRMEGHHSA-NSynonyms
(5Z)5((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)2(345TRIMETHOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)5(4(benzyloxy)3methoxybenzylidene)2(345trimethoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)SC3=N2
COc1cc(ccc1OCc1ccccc1)C=c1sc2n(c1=O)nc(n2)c1cc(OC)c(c(c1)OC)OC
InChI=1SC28H25N3O6Sc133211218(101120(21)3716178657917)132427(32)3128(3824)2926(3031)191422(342)25(364)23(1519)353h515H16H214H3b2413
MFCD04447221
ZINC000098046597
ZINC98046597
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