Vitas-M small molecule compound

2-[(3a'S,6a'R)-6-chloro-5'-cyclohexyl-7-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]acetamide

Catalog ID
STK588306
SMILES NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2ccc(c1C)Cl

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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/c1-10-13(23)8-7-12-18(10)25-21(31)22(12)17-16(14(26-22)9-15(24)28)19(29)27(20(17)30)11-5-3-2-4-6-11/h7-8,11,14,16-17,26H,2-6,9H2,1H3,(H2,24,28)(H,25,31)/t14?,16-,17+,22?/m1/s1
InChIKey
NWPDCQTUHRNAIP-IIFCYOTJSA-N
Synonyms
1013980-86-3
1013980863
2((3aR6aS)6chloro5cyclohexyl7methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)6chloro5cyclohexyl7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)6chloro5cyclohexyl7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CC(=O)N)C(=O)N(C4=O)C5CCCCC5)Cl
InChI=1SC22H25ClN4O4c11013(23)871218(10)2521(31)22(12)1716(14(2622)915(24)28)19(29)27(20(17)30)115324611h781114161726H269H21H3(H22428)(H2531)t14?1617+22?m1s1
MFCD06597629
NC(=O)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)C1CCCCC1)C(=O)Nc1c2ccc(c1C)Cl
ZINC000016010026
ZINC000016010029

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Available files

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