Vitas-M small molecule compound
ethyl 4-({[(4-tert-butylphenyl)carbonyl](4-fluorophenyl)amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Catalog ID
STK768058
SMILES CCOC(=O)c1[nH]c(c(c1C)CN(C(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F)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 C27H31FN2O3 MW 450.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN2O3/c1-7-33-26(32)24-17(2)23(18(3)29-24)16-30(22-14-12-21(28)13-15-22)25(31)19-8-10-20(11-9-19)27(4,5)6/h8-15,29H,7,16H2,1-6H3InChIKey
HJYVMRRXPOLIQJ-UHFFFAOYSA-NSynonyms
CCOC(=O)c1(nH)c(c(c1C)CN(C(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F)C
CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)C(C)(C)C)C
ethyl4((((4tertbutylphenyl)carbonyl)(4fluorophenyl)amino)methyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((N(4TERTBUTYLBENZOYL)4FLUOROANILINO)METHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H31FN2O3c173326(32)2417(2)23(18(3)2924)1630(22141221(28)131522)25(31)1981020(11919)27(45)6h81529H716H216H3
MFCD03308277
ZINC000001070754
ZINC01070754
ZINC1070754
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