Vitas-M small molecule compound
(1'R,3'R,3a'S,6a'R)-5'-benzyl-3'-((R)-1-hydroxyethyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione
Catalog ID
STL531885
SMILES CC([C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cccc1)O
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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 C22H21N3O4 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4/c1-12(26)18-16-17(20(28)25(19(16)27)11-13-7-3-2-4-8-13)22(24-18)14-9-5-6-10-15(14)23-21(22)29/h2-10,12,16-18,24,26H,11H2,1H3,(H,23,29)/t12?,16-,17-,18-,22-/m0/s1InChIKey
ZSFRKRFMTUJCFH-BBDFYXMHSA-NSynonyms
956936-28-0(1~(R)3~(R)3~(a)~(R)6~(a)~(S))5benzyl1(1hydroxyethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(1R3R3aS6aR)5benzyl3((R)1hydroxyethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16402857
956936280
CC((C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccccc1)C(=O)Nc1c2cccc1)O
InChI=1SC22H21N3O4c112(26)181617(20(28)25(19(16)27)11137324813)22(2418)149561015(14)2321(22)29h2101216182426H11H21H3(H2329)t12?16171822m0s1
MFCD32649932
ZINC000015957970
ZINC000015957971
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