Vitas-M small molecule compound
4-[({(Z)-[1-(2-bromo-4,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}carbamoyl)amino]-3-methoxyphenyl thiocyanate
Catalog ID
STL295777
SMILES N#CSc1ccc(c(c1)OC)NC(=O)N/C=C\1/C(=O)NC(=O)N(C1=O)c1cc(C)c(cc1Br)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 C22H18BrN5O5S MW 544.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN5O5S/c1-11-6-15(23)17(7-12(11)2)28-20(30)14(19(29)27-22(28)32)9-25-21(31)26-16-5-4-13(34-10-24)8-18(16)33-3/h4-9H,1-3H3,(H2,25,26,31)(H,27,29,32)/b14-9-InChIKey
LWGSJHCPINYEPX-ZROIWOOFSA-NSynonyms
(((1(2BROMO45DIMETHYLPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)AMINO)N(4CYANOTHIO2METHOXYPHENYL)CARBOXAMIDE
(4(((Z)(1(2BROMO45DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)CARBAMOYLAMINO)3METHOXYPHENYL)THIOCYANATE
4((((Z)(1(2bromo45dimethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)carbamoyl)amino)3methoxyphenylthiocyanate
CC1=CC(=C(C=C1C)Br)N2C(=O)C(=CNC(=O)NC3=C(C=C(C=C3)SC#N)OC)C(=O)NC2=O
InChI=1SC22H18BrN5O5Sc111615(23)17(712(11)2)2820(30)14(19(29)2722(28)32)92521(31)26165413(341024)818(16)333h49H13H3(H2252631)(H272932)b149
MFCD03549902
N#CSc1ccc(c(c1)OC)NC(=O)NC=C1C(=O)NC(=O)N(C1=O)c1cc(C)c(cc1Br)C
ZINC000100959082
ZINC100959082
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.