Vitas-M small molecule compound
methyl (4Z)-4-(4-ethylbenzylidene)-2-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161444
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)CC)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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-4-15-7-9-16(10-8-15)12-18-19(21(24)25-3)14(2)22(20(18)23)13-17-6-5-11-26-17/h7-10,12,17H,4-6,11,13H2,1-3H3/b18-12-InChIKey
FAWVOJTUXQDLMJ-PDGQHHTCSA-NSynonyms
CCC1=CC=C(C=C1)C=C2C(=C(N(C2=O)CC3CCCO3)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)CC)CC1CCCO1
InChI=1SC21H25NO4c14157916(10815)121819(21(24)253)14(2)22(20(18)23)131765112617h7101217H461113H213H3b1812
METHYL(4Z)4((4ETHYLPHENYL)METHYLIDENE)2METHYL5OXO1(OXOLAN2YLMETHYL)PYRROLE3CARBOXYLATE
METHYL(4Z)4(4ETHYLBENZYLIDENE)2METHYL5OXO1(TETRAHYDROFURAN2YLMETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL3((4ETHYLPHENYL)METHYLENE)5METHYL2OXO1(OXOLAN2YLMETHYL)AZOLINE4CARBOXYLATE
MFCD03261061
ZINC000012413217
ZINC000012413219
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