Vitas-M small molecule compound

3-{(3a'S,6a'R)-7-chloro-5-methyl-2,4',6'-trioxo-5'-[(1R)-1-phenylethyl]-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl}propanoic acid

Catalog ID
STL533018
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)[C@@H](c1ccccc1)C)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 C25H24ClN3O5 MW 481.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O5/c1-12-10-15-21(16(26)11-12)27-24(34)25(15)20-19(17(28-25)8-9-18(30)31)22(32)29(23(20)33)13(2)14-6-4-3-5-7-14/h3-7,10-11,13,17,19-20,28H,8-9H2,1-2H3,(H,27,34)(H,30,31)/t13-,17?,19-,20+,25?/m1/s1
InChIKey
HWJONCYPAWENCD-UPRWHYJJSA-N
Synonyms
956965-49-4
16405993
3((3~(a)~(R)6~(a)~(S))7chloro5methyl246trioxo5((1~(R))1phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)7chloro5methyl246trioxo5((1R)1phenylethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)7chloro5methyl246trioxo5((R)1phenylethyl)33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956965494
InChI=1SC25H24ClN3O5c112101521(16(26)1112)2724(34)25(15)2019(17(2825)8918(30)31)22(32)29(23(20)33)13(2)146435714h3710111317192028H89H212H3(H2734)(H3031)t1317?1920+25?m1s1
MFCD06493435
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)(C@@H)(c1ccccc1)C)C(=O)Nc1c2cc(C)cc1Cl
ZINC000002129797
ZINC000002129800

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Available files

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