Vitas-M small molecule compound
3-[(3a'S,6a'R)-5'-(2-methoxybenzyl)-5,7-dimethyl-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
STL532421
SMILES COc1ccccc1CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(C)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 C26H28N4O5 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O5/c1-13-10-14(2)22-16(11-13)26(25(34)28-22)21-20(17(29-26)8-9-19(27)31)23(32)30(24(21)33)12-15-6-4-5-7-18(15)35-3/h4-7,10-11,17,20-21,29H,8-9,12H2,1-3H3,(H2,27,31)(H,28,34)/t17?,20-,21+,26?/m1/s1InChIKey
LMJXVWGYBDCADS-VGMWFXCVSA-NSynonyms
956813-27-716403546
3((3~(a)~(R)6~(a)~(S))5((2methoxyphenyl)methyl)57dimethyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)propanamide
3((3aS6aR)5(2methoxybenzyl)57dimethyl246trioxo1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)propanamide
3((3aS6aR)5(2methoxybenzyl)57dimethyl246trioxo33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)propanamide
956813277
COc1ccccc1CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(C)cc2C
InChI=1SC26H28N4O5c1131014(2)2216(1113)26(25(34)2822)2120(17(2926)8919(27)31)23(32)30(24(21)33)1215645718(15)353h47101117202129H8912H213H3(H22731)(H2834)t17?2021+26?m1s1
MFCD06496025
ZINC000015959101
ZINC000020611747
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.