Vitas-M small molecule compound
3-benzyl-1-[2-(6-{(E)-[1-(4-chlorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-7-methoxy-1,3-benzodioxol-5-yl)ethyl]-1-methylthiourea
Catalog ID
STL038788
SMILES COc1c(/C=C/2\C(=O)N=C(N(C2=O)c2ccc(cc2)Cl)O)c(CCN(C(=S)NCc2ccccc2)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 C30H27ClN4O6S MW 607.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4O6S/c1-34(30(42)32-16-18-6-4-3-5-7-18)13-12-19-14-24-26(41-17-40-24)25(39-2)22(19)15-23-27(36)33-29(38)35(28(23)37)21-10-8-20(31)9-11-21/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,32,42)(H,33,36,38)/b23-15+InChIKey
NGLGEKGMXHLJKY-HZHRSRAPSA-NSynonyms
3BENZYL1(2(6((E)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)7METHOXY13BENZODIOXOL5YL)ETHYL)1METHYLTHIOUREA
3benzyl1(2(6((E)(1(4chlorophenyl)2hydroxy46dioxo16dihydropyrimidin5(4H)ylidene)methyl)7methoxy13benzodioxol5yl)ethyl)1methylthiourea
CN(CCC1=CC2=C(C(=C1C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)OC)OCO2)C(=S)NCC5=CC=CC=C5
COc1c(C=C2C(=O)N=C(N(C2=O)c2ccc(cc2)Cl)O)c(CCN(C(=S)NCc2ccccc2)C)cc2c1OCO2
InChI=1SC30H27ClN4O6Sc134(30(42)3216186435718)131219142426(41174024)25(392)22(19)152327(36)3329(38)35(28(23)37)2110820(31)91121h3111415H12131617H212H3(H3242)(H333638)b2315+
MFCD04072761
ZINC000097969033
ZINC97969033
Check stock
See real-time availability and sample size for STL038788 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.