Vitas-M small molecule compound
ethyl 2-amino-1'-(2-amino-2-oxoethyl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[chromene-4,3'-indole]-3-carboxylate
Catalog ID
STL255836
SMILES CCOC(=O)C1=C(N)OC2=C(C31C(=O)N(c1c3cccc1)CC(=O)N)C(=O)CCC2
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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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-2-29-19(27)17-18(23)30-14-9-5-8-13(25)16(14)21(17)11-6-3-4-7-12(11)24(20(21)28)10-15(22)26/h3-4,6-7H,2,5,8-10,23H2,1H3,(H2,22,26)InChIKey
HVBXQWBZCGEHRV-UHFFFAOYSA-NSynonyms
(S)ethyl2amino1(2amino2oxoethyl)25dioxo5678tetrahydrospiro(chromene43indoline)3carboxylate
CCOC(=O)C1=C(N)OC2=C((C@@)31C(=O)N(c1c3cccc1)CC(=O)N)C(=O)CCC2
CCOC(=O)C1=C(OC2=C(C13C4=CC=CC=C4N(C3=O)CC(=O)N)C(=O)CCC2)N
ethyl2amino1(2amino2oxoethyl)25dioxo125678hexahydrospiro(chromene43indole)3carboxylate
ETHYL2AMINO1(2AMINO2OXOETHYL)25DIOXOSPIRO(78DIHYDRO6HCHROMENE43INDOLE)3CARBOXYLATE
InChI=1SC21H21N3O6c122919(27)1718(23)301495813(25)16(14)21(17)11634712(11)24(20(21)28)1015(22)26h3467H2581023H21H3(H22226)
MFCD14757558
ZINC000004177943
ZINC000004177944
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