Vitas-M small molecule compound
methyl (1R,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4-dimethoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STL546697
SMILES COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(c(c1)OC)OC)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 C22H23N3O6 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6/c1-12(26)14-6-8-17-22(11-23,21(28)31-4)18(19(20(24)27)25(17)10-14)13-5-7-15(29-2)16(9-13)30-3/h5-10,17-19H,1-4H3,(H2,24,27)/t17-,18-,19+,22-/m0/s1InChIKey
WRTHZMHZNDOZGW-VWNVYAMZSA-NSynonyms
500218-89-3(1R2R3R8aS)methyl6acetyl3carbamoyl1cyano2(34dimethoxyphenyl)1238atetrahydroindolizine1carboxylate
16396514
500218893
COC(=O)(C@@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1ccc(c(c1)OC)OC)C(=O)N)C(=O)C
InChI=1SC22H23N3O6c112(26)14681722(112321(28)314)18(19(20(24)27)25(17)1014)135715(292)16(913)303h5101719H14H3(H22427)t171819+22m0s1
methyl(1~(R)2~(R)3~(R)8~(a)~(S))6acetyl3carbamoyl1cyano2(34dimethoxyphenyl)38~(a)dihydro2~(H)indolizine1carboxylate
methyl(1R2R3R8aS)6acetyl3carbamoyl1cyano2(34dimethoxyphenyl)1238atetrahydroindolizine1carboxylate
MFCD01835780
ZINC000012658623
ZINC12658623
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