Vitas-M small molecule compound
N,N,6-trimethyl-4-[4-(2-methylpropoxy)naphthalen-1-yl]-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Catalog ID
STL419720
SMILES CC(COc1ccc(c2c1cccc2)C1NC(=S)NC(=C1C(=O)N(C)C)C)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 C22H27N3O2S MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2S/c1-13(2)12-27-18-11-10-17(15-8-6-7-9-16(15)18)20-19(21(26)25(4)5)14(3)23-22(28)24-20/h6-11,13,20H,12H2,1-5H3,(H2,23,24,28)InChIKey
PHXJYCWLSRSDJU-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC=C(C3=CC=CC=C23)OCC(C)C)C(=O)N(C)C
InChI=1SC22H27N3O2Sc113(2)122718111017(15867916(15)18)2019(21(26)25(4)5)14(3)2322(28)2420h6111320H12H215H3(H2232428)
MFCD03272178
NN6TRIMETHYL4(4(2METHYLPROPOXY)NAPHTHALEN1YL)2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXAMIDE
NN6trimethyl4(4(2methylpropoxy)naphthalen1yl)2thioxo1234tetrahydropyrimidine5carboxamide
ZINC000000638277
ZINC000004664486
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