Vitas-M small molecule compound
3-{(3a'S,6a'R)-5'-[2-(3,4-dimethoxyphenyl)ethyl]-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}propanamide
Catalog ID
STK589875
SMILES COc1cc(CCN2C(=O)[C@H]3[C@@H](C2=O)C2(NC3CCC(=O)N)C(=O)Nc3c2cccc3)ccc1OC
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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 C26H28N4O6 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O6/c1-35-18-9-7-14(13-19(18)36-2)11-12-30-23(32)21-17(8-10-20(27)31)29-26(22(21)24(30)33)15-5-3-4-6-16(15)28-25(26)34/h3-7,9,13,17,21-22,29H,8,10-12H2,1-2H3,(H2,27,31)(H,28,34)/t17?,21-,22+,26?/m1/s1InChIKey
PLSZGUKEHOQKNU-UNOUYESJSA-NSynonyms
1014086-02-21014086022
3((3aR6aS)5(2(34dimethoxyphenyl)ethyl)246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)1yl)propanamide
3((3aS6aR)5(2(34dimethoxyphenyl)ethyl)246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)5(34dimethoxyphenethyl)246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
COC1=C(C=C(C=C1)CCN2C(=O)C3C(NC4(C3C2=O)C5=CC=CC=C5NC4=O)CCC(=O)N)OC
COc1cc(CCN2C(=O)(C@H)3(C@@H)(C2=O)C2(NC3CCC(=O)N)C(=O)Nc3c2cccc3)ccc1OC
InChI=1SC26H28N4O6c135189714(1319(18)362)11123023(32)2117(81020(27)31)2926(22(21)24(30)33)15534616(15)2825(26)34h3791317212229H81012H212H3(H22731)(H2834)t17?2122+26?m1s1
MFCD06792506
ZINC000013575400
ZINC000016024954
Check stock
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Check stock on Vitas-MAvailable files
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