Vitas-M small molecule compound
ethyl (1S,2R,3S,8aS)-2-phenyl-3-(phenylcarbonyl)-1-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1,2,3,8a-tetrahydroindolizine-6-carboxylate
Catalog ID
STK671315
SMILES CCOC(=O)C1=CN2[C@@H](C=C1)[C@H]([C@@H]([C@H]2C(=O)c1ccccc1)c1ccccc1)C(=O)C12CC3CC(C2)CC(C1)C3
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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 C35H37NO4 MW 535.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37NO4/c1-2-40-34(39)27-13-14-28-30(33(38)35-18-22-15-23(19-35)17-24(16-22)20-35)29(25-9-5-3-6-10-25)31(36(28)21-27)32(37)26-11-7-4-8-12-26/h3-14,21-24,28-31H,2,15-20H2,1H3/t22?,23?,24?,28-,29-,30+,31-,35?/m0/s1InChIKey
MJZHJIOQXQPFOO-SHJUASLHSA-NSynonyms
CCOC(=O)C1=CN2(C@@H)(C=C1)(C@H)((C@@H)((C@H)2C(=O)c1ccccc1)c1ccccc1)C(=O)C12CC3CC(C2)CC(C1)C3
CCOC(=O)C1=CN2C(C=C1)C(C(C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C56CC7CC(C5)CC(C7)C6
ethyl(1S2R3S8aS)1(adamantane1carbonyl)3benzoyl2phenyl1238atetrahydroindolizine6carboxylate
ethyl(1S2R3S8aS)2phenyl3(phenylcarbonyl)1(tricyclo(3311~37~)dec1ylcarbonyl)1238atetrahydroindolizine6carboxylate
InChI=1SC35H37NO4c124034(39)2713142830(33(38)3518221523(1935)1724(1622)2035)29(2595361025)31(36(28)2127)32(37)26117481226h31421242831H21520H21H3t22?23?24?282930+3135?m0s1
MFCD03108517
ZINC000033354855
ZINC33354855
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.