Vitas-M small molecule compound
methyl (4E)-4-(4-tert-butylbenzylidene)-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168449
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C/c1ccc(cc1)C(C)(C)C)CC(C)C
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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 C22H29NO3 MW 355.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO3/c1-14(2)13-23-15(3)19(21(25)26-7)18(20(23)24)12-16-8-10-17(11-9-16)22(4,5)6/h8-12,14H,13H2,1-7H3/b18-12+InChIKey
DUVPJJJNKNHRSQ-LDADJPATSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)C(C)(C)C)C(=O)N1CC(C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(C)(C)C)CC(C)C
InChI=1SC22H29NO3c114(2)132315(3)19(21(25)267)18(20(23)24)121681017(11916)22(45)6h81214H13H217H3b1812+
METHYL(4E)4((4TERTBUTYLPHENYL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
METHYL(4E)4(4TERTBUTYLBENZYLIDENE)2METHYL1(2METHYLPROPYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD08680037
ZINC000004703003
ZINC04703003
ZINC4703003
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