Vitas-M small molecule compound
(3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-5'-(4-methoxyphenyl)-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
STK587144
SMILES COc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2
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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 C27H22FN3O5 MW 487.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FN3O5/c1-36-18-9-5-16(6-10-18)31-24(33)22-21(12-14-2-7-17(32)8-3-14)30-27(23(22)25(31)34)19-13-15(28)4-11-20(19)29-26(27)35/h2-11,13,21-23,30,32H,12H2,1H3,(H,29,35)/t21?,22-,23+,27?/m1/s1InChIKey
XRKRKVXSSIRFFM-FPAXGFGJSA-NSynonyms
1013980-96-5(3aR6aS)5fluoro1((4hydroxyphenyl)methyl)5(4methoxyphenyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5fluoro3(4hydroxybenzyl)5(4methoxyphenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5fluoro3(4hydroxybenzyl)5(4methoxyphenyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013980965
COC1=CC=C(C=C1)N2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC6=CC=C(C=C6)O
COc1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2
InChI=1SC27H22FN3O5c136189516(61018)3124(33)2221(12142717(32)8314)3027(23(22)25(31)34)191315(28)41120(19)2926(27)35h2111321233032H12H21H3(H2935)t21?2223+27?m1s1
MFCD06611112
ZINC000013541182
ZINC000016012740
Check stock
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Check stock on Vitas-MAvailable files
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