Vitas-M small molecule compound
(3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5-fluoro-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
STK585187
SMILES Fc1ccc(cc1)CN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)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 C27H21F2N3O5 MW 505.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21F2N3O5/c28-15-4-1-13(2-5-15)12-32-24(35)22-19(9-14-3-8-20(33)21(34)10-14)31-27(23(22)25(32)36)17-11-16(29)6-7-18(17)30-26(27)37/h1-8,10-11,19,22-23,31,33-34H,9,12H2,(H,30,37)/t19?,22-,23+,27?/m1/s1InChIKey
QSOUOPFFXZGRBD-OHXFUWEMSA-NSynonyms
1014021-35-2(3aR6aS)1((34dihydroxyphenyl)methyl)5fluoro5((4fluorophenyl)methyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)3(34dihydroxybenzyl)5fluoro5(4fluorobenzyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)3(34dihydroxybenzyl)5fluoro5(4fluorobenzyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014021352
C1=CC(=CC=C1CN2C(=O)C3C(NC4(C3C2=O)C5=C(C=CC(=C5)F)NC4=O)CC6=CC(=C(C=C6)O)O)F
Fc1ccc(cc1)CN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(F)cc2
InChI=1SC27H21F2N3O5c28154113(2515)123224(35)2219(9143820(33)21(34)1014)3127(23(22)25(32)36)171116(29)6718(17)3026(27)37h181011192223313334H912H2(H3037)t19?2223+27?m1s1
MFCD06775264
ZINC000016020680
ZINC000016020686
Check stock
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Check stock on Vitas-MAvailable files
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