Vitas-M small molecule compound
(3a'S,6a'R)-5'-benzyl-5-fluoro-3'-(4-hydroxybenzyl)-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
STK583395
SMILES Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(cc1)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 C27H22FN3O4 MW 471.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FN3O4/c28-17-8-11-20-19(13-17)27(26(35)29-20)23-22(21(30-27)12-15-6-9-18(32)10-7-15)24(33)31(25(23)34)14-16-4-2-1-3-5-16/h1-11,13,21-23,30,32H,12,14H2,(H,29,35)/t21?,22-,23+,27?/m1/s1InChIKey
TZVJECOHDLDMLO-FPAXGFGJSA-NSynonyms
1014023-63-2(3aR6aS)5benzyl5fluoro1((4hydroxyphenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5benzyl5fluoro3(4hydroxybenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5benzyl5fluoro3(4hydroxybenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014023632
C1=CC=C(C=C1)CN2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC6=CC=C(C=C6)O
Fc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(cc1)O)C(=O)N2
InChI=1SC27H22FN3O4c28178112019(1317)27(26(35)2920)2322(21(3027)12156918(32)10715)24(33)31(25(23)34)14164213516h1111321233032H1214H2(H2935)t21?2223+27?m1s1
MFCD06612189
ZINC000016012959
ZINC000016012965
Check stock
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Check stock on Vitas-MAvailable files
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