Vitas-M small molecule compound
ethyl (1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(2-methoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK530388
SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1OC)C(=O)N)C(=O)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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-4-30-21(28)22(12-23)17-10-9-14(13(2)26)11-25(17)19(20(24)27)18(22)15-7-5-6-8-16(15)29-3/h5-11,17-19H,4H2,1-3H3,(H2,24,27)/t17-,18-,19+,22+/m0/s1InChIKey
YYPVANGPPPMEJQ-PSHVLCQKSA-NSynonyms
(1S2R3R8aS)ethyl6acetyl3carbamoyl1cyano2(2methoxyphenyl)1238atetrahydroindolizine1carboxylate
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccccc1OC)C(=O)N)C(=O)C
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC=CC=C3OC)C(=O)N)C(=O)C)C#N
ethyl(1S2R3R8aS)6acetyl3carbamoyl1cyano2(2methoxyphenyl)1238atetrahydroindolizine1carboxylate
ethyl(1S2R3R8aS)6acetyl3carbamoyl1cyano2(2methoxyphenyl)38adihydro2Hindolizine1carboxylate
InChI=1SC22H23N3O5c143021(28)22(1223)1710914(13(2)26)1125(17)19(20(24)27)18(22)15756816(15)293h5111719H4H213H3(H22427)t171819+22+m0s1
MFCD18241593
ZINC000004862956
ZINC04862956
ZINC4862956
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