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-thiazol-4-yl]acetate
Catalog ID
STL313303
SMILES CCOC(=O)Cc1cs/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 C21H23N3O6S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6S/c1-4-30-20(27)10-15-12-31-21(22-15)23-18(25)11-24-6-5-13-7-16(28-2)17(29-3)8-14(13)9-19(24)26/h5-8,12H,4,9-11H2,1-3H3,(H,22,23,25)InChIKey
WWRFKAPOOPRXKQ-UHFFFAOYSA-NSynonyms
1574326-32-11574326321
CCOC(=O)CC1=CSC(=N1)NC(=O)CN2C=CC3=CC(=C(C=C3CC2=O)OC)OC
CCOC(=O)Cc1csc(=NC(=O)CN2C=Cc3c(CC2=O)cc(c(c3)OC)OC)(nH)1
ethyl((2E)2(((78dimethoxy2oxo12dihydro3H3benzazepin3yl)acetyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2((2(78dimethoxy2oxo1H3benzazepin3yl)acetyl)amino)13thiazol4yl)acetate
InChI=1SC21H23N3O6Sc143020(27)1015123121(2215)2318(25)11246513716(282)17(293)814(13)919(24)26h5812H4911H213H3(H222325)
MFCD28030029
ZINC000095475441
ZINC95475441
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