Vitas-M small molecule compound
ethyl 4-({[(3R,3'S,5'S)-5-fluoro-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-3'-yl]carbonyl}amino)benzoate
Catalog ID
STK608694
SMILES CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(F)cc1)CC(C)C
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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 C25H28FN3O4 MW 453.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28FN3O4/c1-4-33-23(31)15-5-8-17(9-6-15)27-22(30)20-13-18(11-14(2)3)29-25(20)19-12-16(26)7-10-21(19)28-24(25)32/h5-10,12,14,18,20,29H,4,11,13H2,1-3H3,(H,27,30)(H,28,32)/t18-,20+,25-/m0/s1InChIKey
FNRQUHPCLFVOKG-NNPDTBDGSA-NSynonyms
1014023-51-81014023518
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(NC23C4=C(C=CC(=C4)F)NC3=O)CC(C)C
CCOC(=O)c1ccc(cc1)NC(=O)(C@H)1C(C@@H)(N(C@@)21C(=O)Nc1c2cc(F)cc1)CC(C)C
ethyl4((((3R3S5S)5fluoro5(2methylpropyl)2oxo12dihydrospiro(indole32pyrrolidin)3yl)carbonyl)amino)benzoate
ethyl4(((3R3S5S)5fluoro5(2methylpropyl)2oxospiro(1Hindole32pyrrolidine)3carbonyl)amino)benzoate
ethyl4((2R3S5S)5fluoro5isobutyl2oxospiro(indoline32pyrrolidin)3ylcarboxamido)benzoate
InChI=1SC25H28FN3O4c143323(31)155817(9615)2722(30)201318(1114(2)3)2925(20)191216(26)71021(19)2824(25)32h5101214182029H41113H213H3(H2730)(H2832)t1820+25m0s1
MFCD08284718
ZINC000057140410
ZINC57140410
Check stock
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Check stock on Vitas-MAvailable files
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