Vitas-M small molecule compound
(5E)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene]-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK797940
SMILES COc1cc(ccc1OCCC(C)C)/C=c\1/sc2n(c1=O)nc(n2)c1ccc(cc1)C
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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 C24H25N3O3S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3S/c1-15(2)11-12-30-19-10-7-17(13-20(19)29-4)14-21-23(28)27-24(31-21)25-22(26-27)18-8-5-16(3)6-9-18/h5-10,13-15H,11-12H2,1-4H3/b21-14+InChIKey
TYEXNWQNOBMSCX-KGENOOAVSA-NSynonyms
(5E)5((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLIDENE)2(4METHYLPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(3methoxy4(3methylbutoxy)benzylidene)2(4methylphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(4(isopentyloxy)3methoxybenzylidene)2(ptolyl)thiazolo(32b)(124)triazol6(5H)one
CC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCCC(C)C)OC)SC3=N2
COc1cc(ccc1OCCC(C)C)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C
InChI=1SC24H25N3O3Sc115(2)1112301910717(1320(19)294)142123(28)2724(3121)2522(2627)188516(3)6918h5101315H1112H214H3b2114+
MFCD03417001
ZINC000026687535
ZINC26687535
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