Vitas-M small molecule compound
4-(5-{(Z)-[7-(4-methoxyphenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-12-ium-10(9H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL050603
SMILES COc1ccc(cc1)C1C2=C([NH+]=c3n1c(=O)/c(=C/c1ccc(o1)c1ccc(cc1)C(=O)[O-])/s3)c1c(CC2)cccc1
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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 C33H24N2O5S MW 560.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H24N2O5S/c1-39-23-13-10-21(11-14-23)30-26-16-12-19-4-2-3-5-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-15-17-27(40-24)20-6-8-22(9-7-20)32(37)38/h2-11,13-15,17-18,30H,12,16H2,1H3,(H,37,38)/b28-18-InChIKey
DSUHLDUKIFLJME-VEILYXNESA-NSynonyms
COc1ccc(cc1)C1C2=C((NH+)=c3n1c(=O)c(=Cc1ccc(o1)c1ccc(cc1)C(=O)(O))s3)c1c(CC2)cccc1
MFCD03678716
ZINC000102887864
ZINC000102887868
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