Vitas-M small molecule compound
(5Z)-5-[(benzylamino)methylidene]-2-sulfanyl-1-(2,4,6-trimethylphenyl)pyrimidine-4,6(1H,5H)-dione
Catalog ID
STK568359
SMILES Cc1cc(C)c(c(c1)C)N1C(=NC(=O)/C(=C/NCc2ccccc2)/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/c1-13-9-14(2)18(15(3)10-13)24-20(26)17(19(25)23-21(24)27)12-22-11-16-7-5-4-6-8-16/h4-10,12,22H,11H2,1-3H3,(H,23,25,27)/b17-12-InChIKey
RYULGKOGIBRSME-ATVHPVEESA-NSynonyms
(5Z)5((benzylamino)methylidene)2sulfanyl1(246trimethylphenyl)pyrimidine46(1H5H)dione
(5Z)5((BENZYLAMINO)METHYLIDENE)2SULFANYLIDENE1(246TRIMETHYLPHENYL)13DIAZINANE46DIONE
Cc1cc(C)c(c(c1)C)N1C(=NC(=O)C(=CNCc2ccccc2)C1=O)S
InChI=1SC21H21N3O2Sc113914(2)18(15(3)1013)2420(26)17(19(25)2321(24)27)122211167546816h4101222H11H213H3(H232527)b1712
MFCD05730878
ZINC000005885990
ZINC5885990
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