Vitas-M small molecule compound
4-[(3a'S,6a'R)-3'-(hydroxymethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl acetate
Catalog ID
STL533443
SMILES OCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)Nc1c2cccc1
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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 C22H19N3O6 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O6/c1-11(27)31-13-8-6-12(7-9-13)25-19(28)17-16(10-26)24-22(18(17)20(25)29)14-4-2-3-5-15(14)23-21(22)30/h2-9,16-18,24,26H,10H2,1H3,(H,23,30)/t16?,17-,18+,22?/m1/s1InChIKey
VKBWSBBIPSRJLV-IOANDJKRSA-NSynonyms
956999-88-5(4((3~(a)~(R)6~(a)~(S))1(hydroxymethyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)phenyl)acetate
16402059
4((3aS6aR)3(hydroxymethyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
4((3aS6aR)3(hydroxymethyl)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
956999885
InChI=1SC22H19N3O6c111(27)31138612(7913)2519(28)1716(1026)2422(18(17)20(25)29)14423515(14)2321(22)30h2916182426H10H21H3(H2330)t16?1718+22?m1s1
MFCD06492807
OCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)C(=O)Nc1c2cccc1
ZINC000015956804
ZINC000035363835
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