Vitas-M small molecule compound

2-[(3a'S,6a'R)-5-chloro-7-methyl-2,4',6'-trioxo-5'-(2-phenylethyl)-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide

Catalog ID
STL531621
SMILES NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(Cl)cc1C

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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 C24H23ClN4O4 MW 466.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O4/c1-12-9-14(25)10-15-20(12)27-23(33)24(15)19-18(16(28-24)11-17(26)30)21(31)29(22(19)32)8-7-13-5-3-2-4-6-13/h2-6,9-10,16,18-19,28H,7-8,11H2,1H3,(H2,26,30)(H,27,33)/t16?,18-,19+,24?/m1/s1
InChIKey
IBJQJMXXEBRGSG-VETPGCHDSA-N
Synonyms
956943-32-1
16405022
2((3~(a)~(R)6~(a)~(S))5chloro7methyl246trioxo5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)acetamide
2((3aS6aR)5chloro7methyl246trioxo5(2phenylethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)5chloro7methyl246trioxo5phenethyl33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
956943321
InChI=1SC24H23ClN4O4c112914(25)101520(12)2723(33)24(15)1918(16(2824)1117(26)30)21(31)29(22(19)32)87135324613h2691016181928H7811H21H3(H22630)(H2733)t16?1819+24?m1s1
MFCD06768784
NC(=O)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(Cl)cc1C
ZINC000015969627
ZINC000015969633

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.