Vitas-M small molecule compound
(3Z)-3-[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1-heptyl-1,3-dihydro-2H-indol-2-one
Catalog ID
STK823705
SMILES CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(n3)C2COc3c(O2)cccc3)/C1=O
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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 C27H26N4O4S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S/c1-2-3-4-5-10-15-30-18-12-7-6-11-17(18)22(25(30)32)23-26(33)31-27(36-23)28-24(29-31)21-16-34-19-13-8-9-14-20(19)35-21/h6-9,11-14,21H,2-5,10,15-16H2,1H3/b23-22-InChIKey
BMGSXTPKPYAETK-FCQUAONHSA-NSynonyms
(3Z)3(2(23dihydro14benzodioxin2yl)6oxo(13)thiazolo(32b)(124)triazol5(6H)ylidene)1heptyl13dihydro2Hindol2one
(5Z)2(23dihydro14benzodioxin3yl)5(1heptyl2oxoindol3ylidene)(13)thiazolo(32b)(124)triazol6one
CCCCCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(=NC(=N4)C5COC6=CC=CC=C6O5)S3)C1=O
CCCCCCCN1c2ccccc2C(=c2sc3n(c2=O)nc(n3)C2COc3c(O2)cccc3)C1=O
InChI=1SC27H26N4O4Sc123451015301812761117(18)22(25(30)32)2326(33)3127(3623)2824(2931)2116341913891420(19)3521h69111421H25101516H21H3b2322
MFCD03464210
ZINC000097947182
ZINC000097947183
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