Vitas-M small molecule compound
methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-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
STK161538
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1C(=O)OC)C)CC1CCCO1
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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 C27H30N2O6 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O6/c1-16-13-19(17(2)29(16)23-11-7-6-10-21(23)26(31)33-4)14-22-24(27(32)34-5)18(3)28(25(22)30)15-20-9-8-12-35-20/h6-7,10-11,13-14,20H,8-9,12,15H2,1-5H3/b22-14-InChIKey
LAKUDNKBKFWZTQ-HMAPJEAMSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C3C(=C(N(C3=O)CC4CCCO4)C)C(=O)OC
InChI=1SC27H30N2O6c1161319(17(2)29(16)2311761021(23)26(31)334)142224(27(32)345)18(3)28(25(22)30)152098123520h671011131420H891215H215H3b2214
METHYL(4Z)4((1(2(METHOXYCARBONYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1(TETRAHYDROFURAN2YLMETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(2METHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1(OXOLAN2YLMETHYL)PYRROLE3CARBOXYLATE
METHYL2(3((4(METHOXYCARBONYL)5METHYL2OXO1(OXOLAN2YLMETHYL)AZOLIN3YLIDENE)METHYL)25DIMETHYLPYRROLYL)BENZOATE
MFCD03259001
ZINC000001053701
ZINC000001053706
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