Vitas-M small molecule compound
3-[(3a'S,6a'R)-7-chloro-5'-cyclopentyl-5-methyl-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
STK599996
SMILES NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(C)cc1Cl
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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 C22H25ClN4O4 MW 444.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN4O4/c1-10-8-12-18(13(23)9-10)25-21(31)22(12)17-16(14(26-22)6-7-15(24)28)19(29)27(20(17)30)11-4-2-3-5-11/h8-9,11,14,16-17,26H,2-7H2,1H3,(H2,24,28)(H,25,31)/t14?,16-,17+,22?/m1/s1InChIKey
KCSUZGNYMXHPDB-IIFCYOTJSA-NSynonyms
1014003-35-01014003350
3((3aR6aS)7chloro5cyclopentyl5methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanamide
3((3aS6aR)7chloro5cyclopentyl5methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)7chloro5cyclopentyl5methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
CC1=CC(=C2C(=C1)C3(C4C(C(N3)CCC(=O)N)C(=O)N(C4=O)C5CCCC5)C(=O)N2)Cl
InChI=1SC22H25ClN4O4c11081218(13(23)910)2521(31)22(12)1716(14(2622)6715(24)28)19(29)27(20(17)30)11423511h891114161726H27H21H3(H22428)(H2531)t14?1617+22?m1s1
MFCD06772353
NC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCC1)C(=O)Nc1c2cc(C)cc1Cl
ZINC000016020140
ZINC000016020145
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.