Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161557
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)F)C)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 C28H31FN2O3 MW 462.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31FN2O3/c1-18-16-22(19(2)31(18)24-12-10-23(29)11-13-24)17-25-26(28(33)34-4)20(3)30(27(25)32)15-14-21-8-6-5-7-9-21/h8,10-13,16-17H,5-7,9,14-15H2,1-4H3/b25-17-InChIKey
IGISSHLYNCOUFP-UQQQWYQISA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=C(N(C3=O)CCC4=CCCCC4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)F)C)CCC1=CCCCC1
InChI=1SC28H31FN2O3c1181622(19(2)31(18)24121023(29)111324)172526(28(33)344)20(3)30(27(25)32)1514218657921h810131617H5791415H214H3b2517
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4((1(4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03252131
ZINC000014009628
ZINC14009628
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