Vitas-M small molecule compound
3-[(3a'S,6a'R)-5-chloro-5'-(3-methoxypropyl)-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
STK595217
SMILES COCCCN1C(=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 C20H23ClN4O5 MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN4O5/c1-30-8-2-7-25-17(27)15-13(5-6-14(22)26)24-20(16(15)18(25)28)11-9-10(21)3-4-12(11)23-19(20)29/h3-4,9,13,15-16,24H,2,5-8H2,1H3,(H2,22,26)(H,23,29)/t13?,15-,16+,20?/m1/s1InChIKey
NUZGAAJRLNCEEO-KRSSAMQESA-NSynonyms
1014022-34-41014022344
3((3aR6aS)5chloro5(3methoxypropyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanamide
3((3aS6aR)5chloro5(3methoxypropyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)5chloro5(3methoxypropyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
COCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Cl)cc2
COCCCN1C(=O)C2C(NC3(C2C1=O)C4=C(C=CC(=C4)Cl)NC3=O)CCC(=O)N
InChI=1SC20H23ClN4O5c1308272517(27)1513(5614(22)26)2420(16(15)18(25)28)11910(21)3412(11)2319(20)29h34913151624H258H21H3(H22226)(H2329)t13?1516+20?m1s1
MFCD06787127
ZINC000016022155
ZINC000020548986
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.