Vitas-M small molecule compound

2-[(3a'S,6a'R)-6-chloro-5'-(4-fluorobenzyl)-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
STK584998
SMILES NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)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 C23H20ClFN4O4 MW 470.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClFN4O4/c1-10-14(24)7-6-13-19(10)27-22(33)23(13)18-17(15(28-23)8-16(26)30)20(31)29(21(18)32)9-11-2-4-12(25)5-3-11/h2-7,15,17-18,28H,8-9H2,1H3,(H2,26,30)(H,27,33)/t15?,17-,18+,23?/m1/s1
InChIKey
BDRYVDPONKBAAI-IBBBCHJRSA-N
Synonyms
1013885-38-5
1013885385
2((3aR6aS)6chloro5((4fluorophenyl)methyl)7methyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)acetamide
2((3aS6aR)6chloro5(4fluorobenzyl)7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)6chloro5(4fluorobenzyl)7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)F)Cl
InChI=1SC23H20ClFN4O4c11014(24)761319(10)2722(33)23(13)1817(15(2823)816(26)30)20(31)29(21(18)32)9112412(25)5311h2715171828H89H21H3(H22630)(H2733)t15?1718+23?m1s1
MFCD06599967
NC(=O)CC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2ccc(c1C)Cl
ZINC000016010201
ZINC000016010204

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Available files

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