Vitas-M small molecule compound
methyl 4-(2,5-dimethyl-3-{(E)-[1-(4-methylbenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoate
Catalog ID
STK111961
SMILES COC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/NC(=O)N(C1=O)Cc1ccc(cc1)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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-16-5-7-19(8-6-16)15-28-24(30)23(27-26(28)32)14-21-13-17(2)29(18(21)3)22-11-9-20(10-12-22)25(31)33-4/h5-14H,15H2,1-4H3,(H,27,32)/b23-14+InChIKey
SOBMVVXNTCPYJK-OEAKJJBVSA-NSynonyms
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C)NC2=O
COC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1NC(=O)N(C1=O)Cc1ccc(cc1)C
InChI=1SC26H25N3O4c1165719(8616)152824(30)23(2726(28)32)14211317(2)29(18(21)3)2211920(101222)25(31)334h514H15H214H3(H2732)b2314+
METHYL4(25DIMETHYL3((E)(1((4METHYLPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PYRROL1YL)BENZOATE
METHYL4(25DIMETHYL3((E)(1(4METHYLBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
MFCD05625540
ZINC000009264566
ZINC09264566
ZINC9264566
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