Vitas-M small molecule compound

methyl 2-[(3S,3a'S,6a'R)-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
STL547376
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(NC2)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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c1-29-19(27)11-6-2-5-9-15(11)24-17(25)12-10-22-21(16(12)18(24)26)13-7-3-4-8-14(13)23-20(21)28/h2-9,12,16,22H,10H2,1H3,(H,23,28)/t12-,16+,21-/m1/s1
InChIKey
ZQOXCVLITRJJFF-PTPDTQQLSA-N
Synonyms
956272-20-1
11875294
956272201
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(NC2)C(=O)Nc2c1cccc2
InChI=1SC21H17N3O5c12919(27)11625915(11)2417(25)12102221(16(12)18(24)26)13734814(13)2320(21)28h29121622H10H21H3(H2328)t1216+21m1s1
methyl2((1S3aS6aR)246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
methyl2((3~(S)3~(a)~(R)6~(a)~(S))246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
methyl2((3S3aS6aR)246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
MFCD04144450
ZINC000020411752
ZINC20411752

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Available files

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