Vitas-M small molecule compound
(3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5-ethyl-5'-(4-fluorobenzyl)-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
STK574563
SMILES CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)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 C29H26FN3O5 MW 515.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN3O5/c1-2-15-5-9-20-19(11-15)29(28(38)31-20)25-24(21(32-29)12-17-6-10-22(34)23(35)13-17)26(36)33(27(25)37)14-16-3-7-18(30)8-4-16/h3-11,13,21,24-25,32,34-35H,2,12,14H2,1H3,(H,31,38)/t21?,24-,25+,29?/m1/s1InChIKey
HMFPPESKNCQDQF-BUHLBGKYSA-NSynonyms
1013983-78-2(3aR6aS)1((34dihydroxyphenyl)methyl)5ethyl5((4fluorophenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3(34dihydroxybenzyl)5ethyl5(4fluorobenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)3(34dihydroxybenzyl)5ethyl5(4fluorobenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013983782
CCC1=CC2=C(C=C1)NC(=O)C23C4C(C(N3)CC5=CC(=C(C=C5)O)O)C(=O)N(C4=O)CC6=CC=C(C=C6)F
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccc(cc1)F)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC29H26FN3O5c1215592019(1115)29(28(38)3120)2524(21(3229)121761022(34)23(35)1317)26(36)33(27(25)37)14163718(30)8416h31113212425323435H21214H21H3(H3138)t21?2425+29?m1s1
MFCD06771628
ZINC000016020000
ZINC000016020005
Check stock
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Check stock on Vitas-MAvailable files
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