Vitas-M small molecule compound
(5Z)-5-{[5-(4-acetylphenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515740
SMILES CC(=O)c1ccc(cc1)c1ccc(o1)/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 C25H17N3O5S MW 471.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O5S/c1-14(29)15-6-8-16(9-7-15)18-11-10-17(32-18)12-22-24(30)28-25(34-22)26-23(27-28)21-13-31-19-4-2-3-5-20(19)33-21/h2-12,21H,13H2,1H3/b22-12-InChIKey
HGRMYGCZCFIVNI-UUYOSTAYSA-NSynonyms
(5Z)5((5(4acetylphenyl)furan2yl)methylidene)2(23dihydro14benzodioxin2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((5(4ACETYLPHENYL)FURAN2YL)METHYLIDENE)2(23DIHYDRO14BENZODIOXIN3YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N4C(=NC(=N4)C5COC6=CC=CC=C6O5)S3
CC(=O)c1ccc(cc1)c1ccc(o1)C=c1sc2n(c1=O)nc(n2)C1COc2c(O1)cccc2
InChI=1SC25H17N3O5Sc114(29)156816(9715)18111017(3218)122224(30)2825(3422)2623(2728)21133119423520(19)3321h21221H13H21H3b2212
MFCD03532600
ZINC000016742006
ZINC000016742007
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