Vitas-M small molecule compound
ethyl (2Z)-2-{[(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)acetyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL311809
SMILES CCOC(=O)c1s/c(=N\C(=O)CN2C=Cc3c(CC2=O)cc(c(c3)OC)OC)/[nH]c1C
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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 C21H23N3O6S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6S/c1-5-30-20(27)19-12(2)22-21(31-19)23-17(25)11-24-7-6-13-8-15(28-3)16(29-4)9-14(13)10-18(24)26/h6-9H,5,10-11H2,1-4H3,(H,22,23,25)InChIKey
IAOKSWVEOURIGL-UHFFFAOYSA-NSynonyms
1574404-50-41574404504
CCOC(=O)C1=C(N=C(S1)NC(=O)CN2C=CC3=CC(=C(C=C3CC2=O)OC)OC)C
CCOC(=O)c1sc(=NC(=O)CN2C=Cc3c(CC2=O)cc(c(c3)OC)OC)(nH)c1C
ethyl(2Z)2(((78dimethoxy2oxo12dihydro3H3benzazepin3yl)acetyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((2(78dimethoxy2oxo1H3benzazepin3yl)acetyl)amino)4methyl13thiazole5carboxylate
InChI=1SC21H23N3O6Sc153020(27)1912(2)2221(3119)2317(25)11247613815(283)16(294)914(13)1018(24)26h69H51011H214H3(H222325)
MFCD28026305
ZINC000095474315
ZINC95474315
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