Vitas-M small molecule compound
ethyl 2-amino-7,7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
Catalog ID
STK790805
SMILES CCOC(=O)C1=C(N)OC2=C(C31C(=O)Nc1c3cccc1)C(=O)CC(C2)(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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-4-27-18(25)16-17(22)28-14-10-20(2,3)9-13(24)15(14)21(16)11-7-5-6-8-12(11)23-19(21)26/h5-8H,4,9-10,22H2,1-3H3,(H,23,26)InChIKey
HTPACFUSOPMHTM-UHFFFAOYSA-NSynonyms
(S)ethyl2amino77dimethyl25dioxo5678tetrahydrospiro(chromene43indoline)3carboxylate
CCOC(=O)C1=C(N)OC2=C((C@@)31C(=O)Nc1c3cccc1)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(OC2=C(C13C4=CC=CC=C4NC3=O)C(=O)CC(C2)(C)C)N
ethyl2amino77dimethyl25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
ethyl2amino77dimethyl25dioxospiro(1Hindole3468dihydrochromene)3carboxylate
InChI=1SC21H22N2O5c142718(25)1617(22)28141020(23)913(24)15(14)21(16)11756812(11)2319(21)26h58H491022H213H3(H2326)
MFCD00743928
ZINC000004023440
ZINC000004188820
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