Vitas-M small molecule compound
(3a'S,6a'R)-5'-butyl-5-chloro-3'-(1-hydroxyethyl)-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
STK576633
SMILES CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2
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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 C19H22ClN3O4 MW 391.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3O4/c1-3-4-7-23-16(25)13-14(17(23)26)19(22-15(13)9(2)24)11-8-10(20)5-6-12(11)21-18(19)27/h5-6,8-9,13-15,22,24H,3-4,7H2,1-2H3,(H,21,27)/t9?,13-,14-,15?,19?/m0/s1InChIKey
BZLKJYIKRHGNSB-JGRDVOMXSA-NSynonyms
1212440-39-5(3aR6aS)5butyl5chloro1(1hydroxyethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5butyl5chloro3(1hydroxyethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5butyl5chloro3(1hydroxyethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1212440395
CCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2
CCCCN1C(=O)C2C(C1=O)C3(C4=C(C=CC(=C4)Cl)NC3=O)NC2C(C)O
InChI=1SC19H22ClN3O4c13472316(25)1314(17(23)26)19(2215(13)9(2)24)11810(20)5612(11)2118(19)27h568913152224H347H212H3(H2127)t9?131415?19?m0s1
MFCD06785805
ZINC000013572619
ZINC000105351401
Check stock
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Check stock on Vitas-MAvailable files
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