Vitas-M small molecule compound

(3a'S,6a'R)-6-chloro-3'-(1-hydroxyethyl)-7-methyl-5'-(2-phenylethyl)-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
STL530246
SMILES CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl)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 C24H24ClN3O4 MW 453.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClN3O4/c1-12-16(25)9-8-15-19(12)26-23(32)24(15)18-17(20(27-24)13(2)29)21(30)28(22(18)31)11-10-14-6-4-3-5-7-14/h3-9,13,17-18,20,27,29H,10-11H2,1-2H3,(H,26,32)/t13?,17-,18-,20?,24?/m0/s1
InChIKey
GOLGTBLFHKRDDP-GBUCEBEFSA-N
Synonyms
1212493-89-4
(3~(a)~(R)6~(a)~(S))6chloro1(1hydroxyethyl)7methyl5(2phenylethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)6chloro3(1hydroxyethyl)7methyl5(2phenylethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)6chloro3(1hydroxyethyl)7methyl5phenethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212493894
16404782
CC(C1NC2((C@H)3(C@@H)1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2ccc(c1C)Cl)O
InChI=1SC24H24ClN3O4c11216(25)981519(12)2623(32)24(15)1817(20(2724)13(2)29)21(30)28(22(18)31)1110146435714h39131718202729H1011H212H3(H2632)t13?171820?24?m0s1
MFCD06768080
ZINC000035363894
ZINC000252693878

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.