Vitas-M small molecule compound
(3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-5'-(3-nitrophenyl)-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
STK581306
SMILES Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])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 C26H19FN4O6 MW 502.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19FN4O6/c27-14-6-9-19-18(11-14)26(25(35)28-19)22-21(20(29-26)10-13-4-7-17(32)8-5-13)23(33)30(24(22)34)15-2-1-3-16(12-15)31(36)37/h1-9,11-12,20-22,29,32H,10H2,(H,28,35)/t20?,21-,22+,26?/m1/s1InChIKey
JDDQEJKQYDPUEV-YPHDTHBOSA-NSynonyms
1013854-54-0(3aR6aS)5fluoro1((4hydroxyphenyl)methyl)5(3nitrophenyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5fluoro3(4hydroxybenzyl)5(3nitrophenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5fluoro3(4hydroxybenzyl)5(3nitrophenyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013854540
C1=CC(=CC(=C1)(N+)(=O)(O))N2C(=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)c1cccc(c1)(N+)(=O)(O))Cc1ccc(cc1)O)C(=O)N2
InChI=1SC26H19FN4O6c2714691918(1114)26(25(35)2819)2221(20(2926)10134717(32)8513)23(33)30(24(22)34)1521316(1215)31(36)37h19111220222932H10H2(H2835)t20?2122+26?m1s1
MFCD06594403
ZINC000016009797
ZINC000016009800
Check stock
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Check stock on Vitas-MAvailable files
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