Vitas-M small molecule compound
(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5'-(2-methoxyethyl)-5,7-dimethyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Catalog ID
STL531125
SMILES COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)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 C27H28N4O4 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4/c1-14-10-15(2)23-18(11-14)27(26(34)29-23)22-21(24(32)31(25(22)33)8-9-35-3)20(30-27)12-16-13-28-19-7-5-4-6-17(16)19/h4-7,10-11,13,20-22,28,30H,8-9,12H2,1-3H3,(H,29,34)/t20?,21-,22+,27?/m1/s1InChIKey
KAMZZEXAJMOTQQ-SIBQCDDFSA-NSynonyms
956146-10-4(3~(a)~(R)6~(a)~(S))1(1~(H)indol3ylmethyl)5(2methoxyethyl)57dimethylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(2methoxyethyl)57dimethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)3(1Hindol3ylmethyl)5(2methoxyethyl)57dimethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16405254
956146104
COCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cc(C)cc2C
InChI=1SC27H28N4O4c1141015(2)2318(1114)27(26(34)2923)2221(24(32)31(25(22)33)89353)20(3027)1216132819754617(16)19h4710111320222830H8912H213H3(H2934)t20?2122+27?m1s1
MFCD06769695
ZINC000015970089
ZINC000100778147
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.