Vitas-M small molecule compound
2-[(3S,3'S,3a'R,6a'S)-2,4',6'-trioxo-5'-(tetrahydrofuran-2-ylmethyl)-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
STL531964
SMILES NC(=O)C[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1
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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 C20H22N4O5 MW 398.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O5/c21-14(25)8-13-15-16(18(27)24(17(15)26)9-10-4-3-7-29-10)20(23-13)11-5-1-2-6-12(11)22-19(20)28/h1-2,5-6,10,13,15-16,23H,3-4,7-9H2,(H2,21,25)(H,22,28)/t10?,13-,15-,16+,20+/m0/s1InChIKey
PKCGZXQZMLKZHO-TVNLEKISSA-NSynonyms
956915-92-716406438
2((1~(S)3~(S)3~(a)~(S)6~(a)~(R))246trioxo5(oxolan2ylmethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)acetamide
2((1S3S3aR6aS)246trioxo5((tetrahydrofuran2yl)methyl)33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
2((3S3S3aR6aS)246trioxo5(tetrahydrofuran2ylmethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
956915927
InChI=1SC20H22N4O5c2114(25)8131516(18(27)24(17(15)26)9104372910)20(2313)11512612(11)2219(20)28h12561013151623H3479H2(H22125)(H2228)t10?131516+20+m0s1
MFCD07637716
NC(=O)C(C@@H)1N(C@)2((C@@H)3(C@H)1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1
ZINC000020758698
ZINC000100783014
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.