Vitas-M small molecule compound
ethyl (1S,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(4-ethoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STL548208
SMILES CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)OCC)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 C23H25N3O5 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5/c1-4-30-17-9-6-15(7-10-17)19-20(21(25)28)26-12-16(14(3)27)8-11-18(26)23(19,13-24)22(29)31-5-2/h6-12,18-20H,4-5H2,1-3H3,(H2,25,28)/t18-,19-,20+,23+/m0/s1InChIKey
QMNAXMQXFDUTGE-XFGYDDDFSA-NSynonyms
1212434-94-0(1S2R3R8aS)ethyl6acetyl3carbamoyl1cyano2(4ethoxyphenyl)1238atetrahydroindolizine1carboxylate
1212434940
16396074
CCOC(=O)(C@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccc(cc1)OCC)C(=O)N)C(=O)C
ethyl(1~(S)2~(R)3~(R)8~(a)~(S))6acetyl3carbamoyl1cyano2(4ethoxyphenyl)38~(a)dihydro2~(H)indolizine1carboxylate
ethyl(1S2R3R8aS)6acetyl3carbamoyl1cyano2(4ethoxyphenyl)1238atetrahydroindolizine1carboxylate
InChI=1SC23H25N3O5c1430179615(71017)1920(21(25)28)261216(14(3)27)81118(26)23(191324)22(29)3152h6121820H45H213H3(H22528)t181920+23+m0s1
MFCD00855328
ZINC000012657278
ZINC12657278
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