Vitas-M small molecule compound
3-[(3a'S,6a'R)-7-chloro-5-methyl-2,4',6'-trioxo-5'-(2-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
STL531190
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)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/c1-13-11-15-21(16(26)12-13)27-24(34)25(15)20-19(17(28-25)7-8-18(30)31)22(32)29(23(20)33)10-9-14-5-3-2-4-6-14/h2-6,11-12,17,19-20,28H,7-10H2,1H3,(H,27,34)(H,30,31)/t17?,19-,20+,25?/m1/s1InChIKey
PFCVEHICCXMSED-UIMQCXHPSA-NSynonyms
956936-63-316403934
3((3~(a)~(R)6~(a)~(S))7chloro5methyl246trioxo5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)7chloro5methyl246trioxo5(2phenylethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)7chloro5methyl246trioxo5phenethyl33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956936633
InChI=1SC25H24ClN3O5c113111521(16(26)1213)2724(34)25(15)2019(17(2825)7818(30)31)22(32)29(23(20)33)109145324614h26111217192028H710H21H3(H2734)(H3031)t17?1920+25?m1s1
MFCD06765659
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(C)cc1Cl
ZINC000008790209
ZINC000008790212
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.