Vitas-M small molecule compound
2-[(3a'S,6a'R)-7-ethyl-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]acetamide
Catalog ID
STL533421
SMILES CCc1cccc2c1NC(=O)C12NC([C@@H]2[C@H]1C(=O)N(C2=O)CCc1ccccc1)CC(=O)N
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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 C25H26N4O4 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4/c1-2-15-9-6-10-16-21(15)27-24(33)25(16)20-19(17(28-25)13-18(26)30)22(31)29(23(20)32)12-11-14-7-4-3-5-8-14/h3-10,17,19-20,28H,2,11-13H2,1H3,(H2,26,30)(H,27,33)/t17?,19-,20+,25?/m1/s1InChIKey
XJBNWBJVVISKKM-UIMQCXHPSA-NSynonyms
956826-29-216404503
2((3~(a)~(R)6~(a)~(S))7ethyl246trioxo5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)1yl)acetamide
2((3aS6aR)7ethyl246trioxo5(2phenylethyl)1233a4566aoctahydro2Hspiro(indole31pyrrolo(34c)pyrrol)3yl)acetamide
2((3aS6aR)7ethyl246trioxo5phenethyl33a4566ahexahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)3yl)acetamide
956826292
CCc1cccc2c1NC(=O)C12NC((C@@H)2(C@H)1C(=O)N(C2=O)CCc1ccccc1)CC(=O)N
InChI=1SC25H26N4O4c121596101621(15)2724(33)25(16)2019(17(2825)1318(26)30)22(31)29(23(20)32)1211147435814h31017192028H21113H21H3(H22630)(H2733)t17?1920+25?m1s1
MFCD06767276
ZINC000016033014
ZINC000016033017
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.