Vitas-M small molecule compound
ethyl (2E)-2-{[(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)acetyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL314020
SMILES CCOC(=O)c1cs/c(=N/C(=O)CN2C=Cc3c(CC2=O)cc(c(c3)OC)OC)/[nH]1
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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 C20H21N3O6S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6S/c1-4-29-19(26)14-11-30-20(21-14)22-17(24)10-23-6-5-12-7-15(27-2)16(28-3)8-13(12)9-18(23)25/h5-8,11H,4,9-10H2,1-3H3,(H,21,22,24)InChIKey
DASBCEQLWSZUHD-UHFFFAOYSA-NSynonyms
1574515-79-91574515799
CCOC(=O)C1=CSC(=N1)NC(=O)CN2C=CC3=CC(=C(C=C3CC2=O)OC)OC
CCOC(=O)c1csc(=NC(=O)CN2C=Cc3c(CC2=O)cc(c(c3)OC)OC)(nH)1
ethyl(2E)2(((78dimethoxy2oxo12dihydro3H3benzazepin3yl)acetyl)imino)23dihydro13thiazole4carboxylate
ethyl2((2(78dimethoxy2oxo1H3benzazepin3yl)acetyl)amino)13thiazole4carboxylate
InChI=1SC20H21N3O6Sc142919(26)14113020(2114)2217(24)10236512715(272)16(283)813(12)918(23)25h5811H4910H213H3(H212224)
MFCD28030455
ZINC000095476032
ZINC95476032
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