Vitas-M small molecule compound
ethyl (1S,2S,3R,8aS)-3,6-dicarbamoyl-2-(2-chlorophenyl)-1-cyano-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK525405
SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccccc1Cl)C(=O)N)C(=O)N
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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 C20H19ClN4O4 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O4/c1-2-29-19(28)20(10-22)14-8-7-11(17(23)26)9-25(14)16(18(24)27)15(20)12-5-3-4-6-13(12)21/h3-9,14-16H,2H2,1H3,(H2,23,26)(H2,24,27)/t14-,15-,16+,20+/m0/s1InChIKey
OUQWXMDRPJJMPL-ZFCANOHDSA-NSynonyms
1214630-25-7(1S2S3R8aS)ethyl36dicarbamoyl2(2chlorophenyl)1cyano1238atetrahydroindolizine1carboxylate
1214630257
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccccc1Cl)C(=O)N)C(=O)N
CCOC(=O)C1(C2C=CC(=CN2C(C1C3=CC=CC=C3Cl)C(=O)N)C(=O)N)C#N
ethyl(1S2S3R8aS)36dicarbamoyl2(2chlorophenyl)1cyano1238atetrahydroindolizine1carboxylate
ethyl(1S2S3R8aS)36dicarbamoyl2(2chlorophenyl)1cyano38adihydro2Hindolizine1carboxylate
InChI=1SC20H19ClN4O4c122919(28)20(1022)148711(17(23)26)925(14)16(18(24)27)15(20)12534613(12)21h391416H2H21H3(H22326)(H22427)t141516+20+m0s1
MFCD18241545
ZINC000004772804
ZINC04772804
ZINC4772804
Check stock
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