Vitas-M small molecule compound
3-[(3a'S,6a'R)-7-chloro-5'-(4-methoxybenzyl)-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]propanoic acid
Catalog ID
STL531935
SMILES COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2Cl
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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 C24H22ClN3O6 MW 483.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O6/c1-34-13-7-5-12(6-8-13)11-28-21(31)18-16(9-10-17(29)30)27-24(19(18)22(28)32)14-3-2-4-15(25)20(14)26-23(24)33/h2-8,16,18-19,27H,9-11H2,1H3,(H,26,33)(H,29,30)/t16?,18-,19+,24?/m1/s1InChIKey
SLTZBMBLVKSUKF-VETPGCHDSA-NSynonyms
956925-73-816402161
3((3~(a)~(R)6~(a)~(S))7chloro5((4methoxyphenyl)methyl)246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)7chloro5(4methoxybenzyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)7chloro5(4methoxybenzyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956925738
COc1ccc(cc1)CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cccc2Cl
InChI=1SC24H22ClN3O6c134137512(6813)112821(31)1816(91017(29)30)2724(19(18)22(28)32)1432415(25)20(14)2623(24)33h2816181927H911H21H3(H2633)(H2930)t16?1819+24?m1s1
MFCD06493046
ZINC000012874593
ZINC000012874617
Check stock
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Check stock on Vitas-MAvailable files
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