Vitas-M small molecule compound
3-[(3a'S,6a'R)-5-chloro-5'-(4-methoxybenzyl)-7-methyl-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
STL531381
SMILES COc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cc(Cl)cc2C
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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 C25H24ClN3O6 MW 497.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O6/c1-12-9-14(26)10-16-21(12)27-24(34)25(16)20-19(17(28-25)7-8-18(30)31)22(32)29(23(20)33)11-13-3-5-15(35-2)6-4-13/h3-6,9-10,17,19-20,28H,7-8,11H2,1-2H3,(H,27,34)(H,30,31)/t17?,19-,20+,25?/m1/s1InChIKey
XCSBOTNCFSCJRX-UIMQCXHPSA-NSynonyms
956966-19-116402964
3((3~(a)~(R)6~(a)~(S))5chloro5((4methoxyphenyl)methyl)7methyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanoicacid
3((3aS6aR)5chloro5(4methoxybenzyl)7methyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanoicacid
3((3aS6aR)5chloro5(4methoxybenzyl)7methyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanoicacid
956966191
COc1ccc(cc1)CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)O)C(=O)Nc2c1cc(Cl)cc2C
InChI=1SC25H24ClN3O6c112914(26)101621(12)2724(34)25(16)2019(17(2825)7818(30)31)22(32)29(23(20)33)11133515(352)6413h3691017192028H7811H212H3(H2734)(H3031)t17?1920+25?m1s1
MFCD06494786
ZINC000002132248
ZINC000002132252
Check stock
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Check stock on Vitas-MAvailable files
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