Vitas-M small molecule compound
butyl 4-(3-{(Z)-[1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK087420
SMILES CCCCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)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 C27H27N3O6 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O6/c1-4-5-12-36-26(33)19-8-10-21(11-9-19)30-17(2)14-20(18(30)3)15-23-24(31)28-27(34)29(25(23)32)16-22-7-6-13-35-22/h6-11,13-15H,4-5,12,16H2,1-3H3,(H,28,31,34)/b23-15-InChIKey
KPGXCEPXEDQPRA-HAHDFKILSA-NSynonyms
345337-44-2345337442
BUTYL4(3((Z)(1(FURAN2YLMETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
BUTYL4(3((Z)(1(FURAN2YLMETHYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4)C
CCCCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)Cc1ccco1
InChI=1SC27H27N3O6c145123626(33)1981021(11919)3017(2)1420(18(30)3)152324(31)2827(34)29(25(23)32)162276133522h6111315H451216H213H3(H283134)b2315
MFCD02196072
STK087420
ZINC000009680385
ZINC09680385
ZINC9680385
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.