Vitas-M small molecule compound
methyl (4Z)-4-[4-(benzyloxy)benzylidene]-1-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK084491
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)OCc1ccccc1)CCC1=CCCCC1
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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 C29H31NO4 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO4/c1-21-27(29(32)33-2)26(28(31)30(21)18-17-22-9-5-3-6-10-22)19-23-13-15-25(16-14-23)34-20-24-11-7-4-8-12-24/h4,7-9,11-16,19H,3,5-6,10,17-18,20H2,1-2H3/b26-19-InChIKey
IDQWKSKFMIDOKI-XHPQRKPJSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)N1CCC4=CCCCC4)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)OCc1ccccc1)CCC1=CCCCC1
InChI=1SC29H31NO4c12127(29(32)332)26(28(31)30(21)18172295361022)1923131525(161423)342024117481224h479111619H35610171820H212H3b2619
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)2METHYL5OXO4((4PHENYLMETHOXYPHENYL)METHYLIDENE)PYRROLE3CARBOXYLATE
METHYL(4Z)4(4(BENZYLOXY)BENZYLIDENE)1(2(CYCLOHEX1EN1YL)ETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL1(2CYCLOHEX1ENYLETHYL)5METHYL2OXO3((4(PHENYLMETHOXY)PHENYL)METHYLENE)AZOLINE4CARBOXYLATE
MFCD03262078
STK084491
ZINC000008816295
ZINC08816295
ZINC8816295
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