Vitas-M small molecule compound
methyl (2Z)-2-{[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]imino}-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL243234
SMILES COC(=O)c1[nH]/c(=N/C(=O)c2cn(CC)c3c(c2=O)cc2c(c3)OCO2)/sc1C(C)C
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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 C21H21N3O6S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6S/c1-5-24-8-12(17(25)11-6-14-15(7-13(11)24)30-9-29-14)19(26)23-21-22-16(20(27)28-4)18(31-21)10(2)3/h6-8,10H,5,9H2,1-4H3,(H,22,23,26)InChIKey
IKIWSNWWXASHKU-UHFFFAOYSA-NSynonyms
1351700-35-01351700350
COC(=O)c1(nH)c(=NC(=O)c2cn(CC)c3c(c2=O)cc2c(c3)OCO2)sc1C(C)C
methyl(2Z)2(((5ethyl8oxo58dihydro(13)dioxolo(45g)quinolin7yl)carbonyl)imino)5(propan2yl)23dihydro13thiazole4carboxylate
MFCD24859573
ZINC000072401247
ZINC72401247
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