Vitas-M small molecule compound
methyl (4Z)-4-{[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160884
SMILES CCOc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=C(N(C1=O)CC1CCCO1)C)C(=O)OC
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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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-6-33-22-11-9-21(10-12-22)29-17(2)14-20(18(29)3)15-24-25(27(31)32-5)19(4)28(26(24)30)16-23-8-7-13-34-23/h9-12,14-15,23H,6-8,13,16H2,1-5H3/b24-15-InChIKey
DTCLHNIZXDJKIS-IWIPYMOSSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CC4CCCO4)C)C(=O)OC)C
CCOc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=C(N(C1=O)CC1CCCO1)C)C(=O)OC
InChI=1SC27H32N2O5c16332211921(101222)2917(2)1420(18(29)3)152425(27(31)325)19(4)28(26(24)30)162387133423h912141523H681316H215H3b2415
METHYL(4Z)4((1(4ETHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1(TETRAHYDROFURAN2YLMETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(4ETHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1(OXOLAN2YLMETHYL)PYRROLE3CARBOXYLATE
MFCD04086119
ZINC000009845951
ZINC000009845952
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