Vitas-M small molecule compound
(5E)-1-(2,4-dimethylphenyl)-5-{[(2-phenylethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK574847
SMILES Cc1ccc(c(c1)C)N1C(=NC(=O)/C(=C\NCCc2ccccc2)/C1=O)S
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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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c1-14-8-9-18(15(2)12-14)24-20(26)17(19(25)23-21(24)27)13-22-11-10-16-6-4-3-5-7-16/h3-9,12-13,22H,10-11H2,1-2H3,(H,23,25,27)/b17-13+InChIKey
XHABCACRXMRTOT-GHRIWEEISA-NSynonyms
(5E)1(24dimethylphenyl)5(((2phenylethyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(24dimethylphenyl)5((2phenylethylamino)methylidene)2sulfanylidene13diazinane46dione
(5E)1(24DIMETHYLPHENYL)5((PHENETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(C=C1)N2C(=O)C(=CNCCC3=CC=CC=C3)C(=O)NC2=S)C
Cc1ccc(c(c1)C)N1C(=NC(=O)C(=CNCCc2ccccc2)C1=O)S
InChI=1SC21H21N3O2Sc1148918(15(2)1214)2420(26)17(19(25)2321(24)27)13221110166435716h39121322H1011H212H3(H232527)b1713+
MFCD07204681
ZINC000020463401
ZINC20463401
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