Vitas-M small molecule compound
ethyl 4-({[(3R,3'S,5'R)-5-chloro-2-oxo-5'-(propan-2-yl)-1,2-dihydrospiro[indole-3,2'-pyrrolidin]-3'-yl]carbonyl}amino)benzoate
Catalog ID
STK614392
SMILES CCOC(=O)c1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(Cl)cc1)C(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 C24H26ClN3O4 MW 455.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26ClN3O4/c1-4-32-22(30)14-5-8-16(9-6-14)26-21(29)18-12-20(13(2)3)28-24(18)17-11-15(25)7-10-19(17)27-23(24)31/h5-11,13,18,20,28H,4,12H2,1-3H3,(H,26,29)(H,27,31)/t18-,20-,24+/m1/s1InChIKey
IUBGLMRZLZEJLI-FPGHNAPASA-NSynonyms
1014063-58-11014063581
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(NC23C4=C(C=CC(=C4)Cl)NC3=O)C(C)C
CCOC(=O)c1ccc(cc1)NC(=O)(C@H)1C(C@@H)(N(C@@)21C(=O)Nc1c2cc(Cl)cc1)C(C)C
ethyl4((((3R3S5R)5chloro2oxo5(propan2yl)12dihydrospiro(indole32pyrrolidin)3yl)carbonyl)amino)benzoate
ethyl4(((3R3S5R)5chloro2oxo5propan2ylspiro(1Hindole32pyrrolidine)3carbonyl)amino)benzoate
ethyl4((2R3S5R)5chloro5isopropyl2oxospiro(indoline32pyrrolidin)3ylcarboxamido)benzoate
InChI=1SC24H26ClN3O4c143222(30)145816(9614)2621(29)181220(13(2)3)2824(18)171115(25)71019(17)2723(24)31h51113182028H412H213H3(H2629)(H2731)t182024+m1s1
MFCD08284757
ZINC000013592337
ZINC13592337
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.