Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(furan-2-ylmethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161512
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)Cl)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 C26H25ClN2O4 MW 464.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O4/c1-15-8-9-20(13-23(15)27)29-16(2)11-19(17(29)3)12-22-24(26(31)32-5)18(4)28(25(22)30)14-21-7-6-10-33-21/h6-13H,14H2,1-5H3/b22-12-InChIKey
LLEDGOUCZSMMJP-UUYOSTAYSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CC4=CC=CO4)C)C(=O)OC)C)Cl
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(c(c1)Cl)C)C)Cc1ccco1
InChI=1SC26H25ClN2O4c1158920(1323(15)27)2916(2)1119(17(29)3)122224(26(31)325)18(4)28(25(22)30)142176103321h613H14H215H3b2212
METHYL(4Z)4((1(3CHLORO4METHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLORO4METHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(FURAN2YLMETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03254140
ZINC000014009539
ZINC14009539
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