Vitas-M small molecule compound
methyl (1R,2R,3R,8aS)-6-acetyl-3-carbamoyl-1-cyano-2-(3,4,5-trimethoxyphenyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate
Catalog ID
STK539548
SMILES COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1cc(OC)c(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 C23H25N3O7 MW 455.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O7/c1-12(27)13-6-7-17-23(11-24,22(29)33-5)18(19(21(25)28)26(17)10-13)14-8-15(30-2)20(32-4)16(9-14)31-3/h6-10,17-19H,1-5H3,(H2,25,28)/t17-,18-,19+,23-/m0/s1InChIKey
LLNUFVTVLZRLCP-XWQURZDVSA-NSynonyms
956982-37-9(1R2R3R8aS)methyl6acetyl3carbamoyl1cyano2(345trimethoxyphenyl)1238atetrahydroindolizine1carboxylate
956982379
CC(=O)C1=CN2C(C=C1)C(C(C2C(=O)N)C3=CC(=C(C(=C3)OC)OC)OC)(C#N)C(=O)OC
COC(=O)(C@@)1(C#N)(C@@H)2C=CC(=CN2(C@H)((C@@H)1c1cc(OC)c(c(c1)OC)OC)C(=O)N)C(=O)C
InChI=1SC23H25N3O7c112(27)13671723(112422(29)335)18(19(21(25)28)26(17)1013)14815(302)20(324)16(914)313h6101719H15H3(H22528)t171819+23m0s1
methyl(1R2R3R8aS)6acetyl3carbamoyl1cyano2(345trimethoxyphenyl)1238atetrahydroindolizine1carboxylate
methyl(1R2R3R8aS)6acetyl3carbamoyl1cyano2(345trimethoxyphenyl)38adihydro2Hindolizine1carboxylate
MFCD18241767
ZINC000009216280
ZINC09216280
ZINC9216280
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.