Vitas-M small molecule compound

(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-3'-(1-hydroxyethyl)-6,7-dimethyl-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
STL531082
SMILES CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2ccc(c1C)C)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 C25H25N3O6 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O6/c1-11-4-6-15-20(12(11)2)26-24(32)25(15)19-18(21(27-25)13(3)29)22(30)28(23(19)31)9-14-5-7-16-17(8-14)34-10-33-16/h4-8,13,18-19,21,27,29H,9-10H2,1-3H3,(H,26,32)/t13?,18-,19-,21?,25?/m0/s1
InChIKey
MIOWLQZLZJKGOI-FZGCEZHTSA-N
Synonyms
1212428-11-9
(3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)1(1hydroxyethyl)67dimethylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5(13benzodioxol5ylmethyl)3(1hydroxyethyl)67dimethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)3(1hydroxyethyl)67dimethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212428119
16403980
CC(C1NC2((C@H)3(C@@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2ccc(c1C)C)O
InChI=1SC25H25N3O6c111461520(12(11)2)2624(32)25(15)1918(21(2725)13(3)29)22(30)28(23(19)31)914571617(814)34103316h48131819212729H910H213H3(H2632)t13?181921?25?m0s1
MFCD06765797
ZINC000035363878
ZINC000252694563

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Available files

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