Vitas-M small molecule compound
(1'R,3'R,3a'S,6a'R)-5'-(benzo[d][1,3]dioxol-5-yl)-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
STL530133
SMILES CC([C@@H]1N[C@@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc3c(c1)OCO3)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 C22H19N3O6 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O6/c1-10(26)18-16-17(22(24-18)12-4-2-3-5-13(12)23-21(22)29)20(28)25(19(16)27)11-6-7-14-15(8-11)31-9-30-14/h2-8,10,16-18,24,26H,9H2,1H3,(H,23,29)/t10?,16-,17-,18-,22-/m0/s1InChIKey
SSKFEUMSKCAJAN-YEKJUJMESA-NSynonyms
956973-68-5(1~(R)3~(R)3~(a)~(R)6~(a)~(S))5(13benzodioxol5yl)1(1hydroxyethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(1R3R3aS6aR)5(benzo(d)(13)dioxol5yl)3((R)1hydroxyethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16402897
956973685
CC((C@@H)1N(C@@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1ccc3c(c1)OCO3)C(=O)Nc1c2cccc1)O
InChI=1SC22H19N3O6c110(26)181617(22(2418)12423513(12)2321(22)29)20(28)25(19(16)27)11671415(811)3193014h281016182426H9H21H3(H2329)t10?16171822m0s1
MFCD32649912
ZINC000015958024
ZINC000015958025
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