Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161502
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)OC)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 C25H29ClN2O4 MW 456.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN2O4/c1-14(2)13-27-17(5)23(25(30)32-7)20(24(27)29)11-18-10-15(3)28(16(18)4)19-8-9-22(31-6)21(26)12-19/h8-12,14H,13H2,1-7H3/b20-11-InChIKey
PSWDNQWMDREJSP-JAIQZWGSSA-NSynonyms
CC1=CC(=C(N1C2=CC(=C(C=C2)OC)Cl)C)C=C3C(=C(N(C3=O)CC(C)C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)OC)C)CC(C)C
InChI=1SC25H29ClN2O4c114(2)132717(5)23(25(30)327)20(24(27)29)11181015(3)28(16(18)4)198922(316)21(26)1219h81214H13H217H3b2011
METHYL(4Z)4((1(3CHLORO4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLORO4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
MFCD03251900
ZINC000014009518
ZINC14009518
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