Vitas-M small molecule compound

(3a'S,6a'R)-5'-(butan-2-yl)-3'-(4-hydroxybenzyl)-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
STK590449
SMILES CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1ccc(c2C)C)C

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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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-5-14(3)29-23(31)20-19(12-16-7-9-17(30)10-8-16)28-26(21(20)24(29)32)18-11-6-13(2)15(4)22(18)27-25(26)33/h6-11,14,19-21,28,30H,5,12H2,1-4H3,(H,27,33)/t14?,19?,20-,21+,26?/m1/s1
InChIKey
XFGCKMHBTHYXGS-CYJZTQMPSA-N
Synonyms
1212427-15-0
(3aR6aS)5butan2yl1((4hydroxyphenyl)methyl)67dimethylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5(butan2yl)3(4hydroxybenzyl)67dimethyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(secbutyl)3(4hydroxybenzyl)67dimethyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1212427150
CCC(C)N1C(=O)C2C(NC3(C2C1=O)C4=C(C(=C(C=C4)C)C)NC3=O)CC5=CC=C(C=C5)O
CCC(N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1ccc(c2C)C)C
InChI=1SC26H29N3O4c1514(3)2923(31)2019(12167917(30)10816)2826(21(20)24(29)32)1811613(2)15(4)22(18)2725(26)33h6111419212830H512H214H3(H2733)t14?19?2021+26?m1s1
MFCD06786092
ZINC000013572736
ZINC000104874184

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Available files

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