Vitas-M small molecule compound
methyl (4Z)-4-{[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK079123
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)Br)C)C1CCCCC1
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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 C26H29BrN2O3 MW 497.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN2O3/c1-16-14-19(17(2)28(16)22-12-10-20(27)11-13-22)15-23-24(26(31)32-4)18(3)29(25(23)30)21-8-6-5-7-9-21/h10-15,21H,5-9H2,1-4H3/b23-15-InChIKey
STSKNICMLXXJQQ-HAHDFKILSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=C(N(C3=O)C4CCCCC4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)Br)C)C1CCCCC1
InChI=1SC26H29BrN2O3c1161419(17(2)28(16)22121020(27)111322)152324(26(31)324)18(3)29(25(23)30)218657921h101521H59H214H3b2315
METHYL(4Z)4((1(4BROMOPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1CYCLOHEXYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(4BROMOPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1CYCLOHEXYL2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((1(4BROMOPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1CYCLOHEXYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03067992
STK079123
ZINC000013892760
ZINC13892760
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