Vitas-M small molecule compound
N-[2-(6-{(Z)-[1-(4-iodophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-N-methylacetamide
Catalog ID
STK628521
SMILES COc1c(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)I)c(CCN(C(=O)C)C)cc2c1OCO2
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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 C24H22IN3O7 MW 591.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22IN3O7/c1-13(29)27(2)9-8-14-10-19-21(35-12-34-19)20(33-3)17(14)11-18-22(30)26-24(32)28(23(18)31)16-6-4-15(25)5-7-16/h4-7,10-11H,8-9,12H2,1-3H3,(H,26,30,32)/b18-11-InChIKey
YGNCKOYHGZARPN-WQRHYEAKSA-NSynonyms
CC(=O)N(C)CCC1=CC2=C(C(=C1C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)I)OC)OCO2
COc1c(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)I)c(CCN(C(=O)C)C)cc2c1OCO2
InChI=1SC24H22IN3O7c113(29)27(2)9814101921(35123419)20(333)17(14)111822(30)2624(32)28(23(18)31)166415(25)5716h471011H8912H213H3(H263032)b1811
MFCD01845616
N(2(6((1(4iodophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxybenzo(d)(13)dioxol5yl)ethyl)Nmethylacetamide
N(2(6((Z)(1(4IODOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)NMETHYLACETAMIDE
N(2(6((Z)(1(4iodophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)Nmethylacetamide
ZINC000097968784
ZINC97968784
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.