Vitas-M small molecule compound

3-[(3a'S,6a'R)-6-chloro-7-methyl-5'-(naphthalen-2-yl)-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
STK574340
SMILES NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)cccc3)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 C27H23ClN4O4 MW 502.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O4/c1-13-18(28)9-8-17-23(13)30-26(36)27(17)22-21(19(31-27)10-11-20(29)33)24(34)32(25(22)35)16-7-6-14-4-2-3-5-15(14)12-16/h2-9,12,19,21-22,31H,10-11H2,1H3,(H2,29,33)(H,30,36)/t19?,21-,22+,27?/m1/s1
InChIKey
OKVIFIZETMQGRF-CUSLCAQRSA-N
Synonyms
1212451-88-1
1212451881
3((3aR6aS)6chloro7methyl5naphthalen2yl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanamide
3((3aS6aR)6chloro7methyl5(naphthalen2yl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)6chloro7methyl5(naphthalen2yl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
CC1=C(C=CC2=C1NC(=O)C23C4C(C(N3)CCC(=O)N)C(=O)N(C4=O)C5=CC6=CC=CC=C6C=C5)Cl
InChI=1SC27H23ClN4O4c11318(28)981723(13)3026(36)27(17)2221(19(3127)101120(29)33)24(34)32(25(22)35)167614423515(14)1216h291219212231H1011H21H3(H22933)(H3036)t19?2122+27?m1s1
MFCD06594489
NC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc3c(c1)cccc3)C(=O)Nc1c2ccc(c1C)Cl
ZINC000016009806
ZINC000016009809

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Available files

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