Vitas-M small molecule compound

3-[(3a'S,6a'R)-5'-(2-methoxyethyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid

Catalog ID
STK591210
SMILES COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=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 C19H21N3O6 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O6/c1-28-9-8-22-16(25)14-12(6-7-13(23)24)21-19(15(14)17(22)26)10-4-2-3-5-11(10)20-18(19)27/h2-5,12,14-15,21H,6-9H2,1H3,(H,20,27)(H,23,24)/t12?,14-,15+,19?/m1/s1
InChIKey
XHOZXZYRNREINH-IIYOLHEUSA-N
Synonyms
1014021-97-6
1014021976
3((3aR6aS)5(2methoxyethyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanoicacid
3((3aS6aR)5(2methoxyethyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5(2methoxyethyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
COCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2
COCCN1C(=O)C2C(NC3(C2C1=O)C4=CC=CC=C4NC3=O)CCC(=O)O
InChI=1SC19H21N3O6c128982216(25)1412(6713(23)24)2119(15(14)17(22)26)10423511(10)2018(19)27h2512141521H69H21H3(H2027)(H2324)t12?1415+19?m1s1
MFCD06790355
ZINC000005347733
ZINC000005347738

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Available files

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