Vitas-M small molecule compound
methyl (4Z)-4-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161535
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)C)C)CC1CCCO1
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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 C26H30N2O4 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O4/c1-16-8-6-9-21(12-16)28-17(2)13-20(18(28)3)14-23-24(26(30)31-5)19(4)27(25(23)29)15-22-10-7-11-32-22/h6,8-9,12-14,22H,7,10-11,15H2,1-5H3/b23-14-InChIKey
VTXUGKVHJBBVRP-UCQKPKSFSA-NSynonyms
CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CC4CCCO4)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)C)C)CC1CCCO1
InChI=1SC26H30N2O4c11686921(1216)2817(2)1320(18(28)3)142324(26(30)315)19(4)27(25(23)29)1522107113222h689121422H7101115H215H3b2314
METHYL(4Z)4((25DIMETHYL1(3METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1(TETRAHYDROFURAN2YLMETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1(3METHYLPHENYL)PYRROL3YL)METHYLIDENE)2METHYL5OXO1(OXOLAN2YLMETHYL)PYRROLE3CARBOXYLATE
MFCD03252799
ZINC000014009572
ZINC000014009576
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