Vitas-M small molecule compound
3-[(3a'S,6a'R)-7-chloro-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
STL533369
SMILES OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1Cl
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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 C24H22ClN3O5 MW 467.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O5/c25-15-8-4-7-14-20(15)26-23(33)24(14)19-18(16(27-24)9-10-17(29)30)21(31)28(22(19)32)12-11-13-5-2-1-3-6-13/h1-8,16,18-19,27H,9-12H2,(H,26,33)(H,29,30)/t16?,18-,19+,24?/m1/s1InChIKey
XBLIIVRKXYZZPP-VETPGCHDSA-NSynonyms
956925-93-216404589
3((3~(a)~(R)6~(a)~(S))7chloro246trioxo5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)7chloro246trioxo5(2phenylethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)7chloro246trioxo5phenethyl33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956925932
InChI=1SC24H22ClN3O5c25158471420(15)2623(33)24(14)1918(16(2724)91017(29)30)21(31)28(22(19)32)1211135213613h1816181927H912H2(H2633)(H2930)t16?1819+24?m1s1
MFCD06767545
OC(=O)CCC1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1Cl
ZINC000008790780
ZINC000008790784
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