Vitas-M small molecule compound

(3a'S,6a'R)-5-chloro-5'-cyclopentyl-3'-(3,4-dihydroxybenzyl)-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
STK591780
SMILES Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCC1)Cc1ccc(c(c1)O)O)C(=O)N2

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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 C25H24ClN3O5 MW 481.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O5/c26-13-6-7-16-15(11-13)25(24(34)27-16)21-20(22(32)29(23(21)33)14-3-1-2-4-14)17(28-25)9-12-5-8-18(30)19(31)10-12/h5-8,10-11,14,17,20-21,28,30-31H,1-4,9H2,(H,27,34)/t17?,20-,21+,25?/m1/s1
InChIKey
JDFJRVPFATXMEC-PASCBUJGSA-N
Synonyms
1013755-32-2
(3aR6aS)5chloro5cyclopentyl1((34dihydroxyphenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5chloro5cyclopentyl3(34dihydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5chloro5cyclopentyl3(34dihydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013755322
C1CCC(C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)Cl)NC4=O)CC6=CC(=C(C=C6)O)O
Clc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)C1CCCC1)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC25H24ClN3O5c2613671615(1113)25(24(34)2716)2120(22(32)29(23(21)33)14312414)17(2825)9125818(30)19(31)1012h58101114172021283031H149H2(H2734)t17?2021+25?m1s1
MFCD06794315
ZINC000016025181
ZINC000016025187

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Available files

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