Vitas-M small molecule compound
(1'R,3'R,3a'S,6a'R)-3'-((R)-1-hydroxyethyl)-5'-(4-methoxyphenyl)-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione
Catalog ID
STL530930
SMILES COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2C(O)C)C(=O)Nc2c1cccc2
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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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-11(26)18-16-17(22(24-18)14-5-3-4-6-15(14)23-21(22)29)20(28)25(19(16)27)12-7-9-13(30-2)10-8-12/h3-11,16-18,24,26H,1-2H3,(H,23,29)/t11?,16-,17-,18-,22-/m0/s1InChIKey
JKKMGPVZDDDLSP-CHQUAMPXSA-NSynonyms
956966-05-5(1~(R)3~(R)3~(a)~(R)6~(a)~(S))1(1hydroxyethyl)5(4methoxyphenyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(1R3R3aS6aR)3((R)1hydroxyethyl)5(4methoxyphenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
16402883
956966055
COc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@)1(N(C@H)2C(O)C)C(=O)Nc2c1cccc2
InChI=1SC22H21N3O5c111(26)181617(22(2418)14534615(14)2321(22)29)20(28)25(19(16)27)127913(302)10812h31116182426H12H3(H2329)t11?16171822m0s1
MFCD32649919
ZINC000015958007
ZINC000020611245
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