Vitas-M small molecule compound
5-{4-[(2-chloroethyl)(methyl)amino]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL431243
SMILES ClCCN(c1ccc(cc1)C=C1C(=O)NC(=S)NC1=O)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 C14H14ClN3O2S MW 323.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14ClN3O2S/c1-18(7-6-15)10-4-2-9(3-5-10)8-11-12(19)16-14(21)17-13(11)20/h2-5,8H,6-7H2,1H3,(H2,16,17,19,20,21)InChIKey
YHYMAZVLIDBYHI-UHFFFAOYSA-NSynonyms
5((4(2chloroethyl(methyl)amino)phenyl)methylidene)2sulfanylidene13diazinane46dione
5(4((2chloroethyl)(methyl)amino)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
CN(CCCl)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O
InChI=1SC14H14ClN3O2Sc118(7615)10429(3510)81112(19)1614(21)1713(11)20h258H67H21H3(H21617192021)
MFCD01032553
ZINC000005328768
ZINC05328768
ZINC5328768
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