Vitas-M small molecule compound

3-[(3a'S,6a'R)-5-chloro-5'-(2-methoxybenzyl)-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]propanamide

Catalog ID
STL531037
SMILES COc1ccccc1CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Cl)cc2

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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 C24H23ClN4O5 MW 482.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23ClN4O5/c1-34-17-5-3-2-4-12(17)11-29-21(31)19-16(8-9-18(26)30)28-24(20(19)22(29)32)14-10-13(25)6-7-15(14)27-23(24)33/h2-7,10,16,19-20,28H,8-9,11H2,1H3,(H2,26,30)(H,27,33)/t16?,19-,20+,24?/m1/s1
InChIKey
VEBXYTMHRDGZLW-JYITYCQFSA-N
Synonyms
956824-12-7
16402601
3((3~(a)~(R)6~(a)~(S))5chloro5((2methoxyphenyl)methyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanamide
3((3aS6aR)5chloro5(2methoxybenzyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)5chloro5(2methoxybenzyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
956824127
COc1ccccc1CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Cl)cc2
InChI=1SC24H23ClN4O5c13417532412(17)112921(31)1916(8918(26)30)2824(20(19)22(29)32)141013(25)6715(14)2723(24)33h271016192028H8911H21H3(H22630)(H2733)t16?1920+24?m1s1
MFCD06493989
ZINC000015957591
ZINC000020611010

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Available files

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