Vitas-M small molecule compound
ethyl 4-(5,7-dimethyl-1',2,3'-trioxo-1,1',2,3',3a',6',7',8',8a',8b'-decahydro-2'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizin]-2'-yl)benzoate
Catalog ID
STL553578
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(C)cc2C
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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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-4-35-25(33)16-7-9-17(10-8-16)30-23(31)20-19-6-5-11-29(19)27(21(20)24(30)32)18-13-14(2)12-15(3)22(18)28-26(27)34/h7-10,12-13,19-21H,4-6,11H2,1-3H3,(H,28,34)InChIKey
JDQMDACKEZXFOY-UHFFFAOYSA-NSynonyms
3838236
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(C)cc2C
ethyl4((3S3aR8aS8bS)57dimethyl123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)benzoate
ethyl4(57dimethyl123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)benzoate
ethyl4(57dimethyl123trioxospiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)2yl)benzoate
InChI=1SC27H27N3O5c143525(33)167917(10816)3023(31)2019651129(19)27(21(20)24(30)32)181314(2)1215(3)22(18)2826(27)34h71012131921H4611H213H3(H2834)
MFCD09698266
ZINC000035780368
ZINC000504776121
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