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Vitas-M small molecule compound

ethyl 4-[(3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-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]benzoate

Catalog ID
STL533030
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2

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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 C29H25N3O7 MW 527.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O7/c1-2-39-27(37)16-8-10-17(11-9-16)32-25(35)23-20(13-15-7-12-21(33)22(34)14-15)31-29(24(23)26(32)36)18-5-3-4-6-19(18)30-28(29)38/h3-12,14,20,23-24,31,33-34H,2,13H2,1H3,(H,30,38)/t20?,23-,24+,29?/m1/s1
InChIKey
LEOATOMKQVXFSS-YQKSCKDHSA-N
Synonyms
956813-55-1
16403680
956813551
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cccc2
ethyl4((3~(a)~(R)6~(a)~(S))1((34dihydroxyphenyl)methyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
ethyl4((3aS6aR)3(34dihydroxybenzyl)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
ethyl4((3aS6aR)3(34dihydroxybenzyl)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
InChI=1SC29H25N3O7c123927(37)1681017(11916)3225(35)2320(131571221(33)22(34)1415)3129(24(23)26(32)36)18534619(18)3028(29)38h31214202324313334H213H21H3(H3038)t20?2324+29?m1s1
MFCD06764979
ZINC000070699157
ZINC000070699165

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Available files

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