Vitas-M small molecule compound
5-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK011987
SMILES CCc1cc(OCCOc2ccc(cc2)C=C2C(=O)NC(=S)NC2=O)cc(c1)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 C22H22N2O4S MW 410.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4S/c1-3-15-10-14(2)11-18(12-15)28-9-8-27-17-6-4-16(5-7-17)13-19-20(25)23-22(29)24-21(19)26/h4-7,10-13H,3,8-9H2,1-2H3,(H2,23,24,25,26,29)InChIKey
XIZMQNPINHZAAR-UHFFFAOYSA-NSynonyms
5((4(2(3ETHYL5METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(4(2(3ETHYL5METHYLPHENOXY)ETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC1=CC(=CC(=C1)C)OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O
CCc1cc(OCCOc2ccc(cc2)C=C2C(=O)NC(=S)NC2=O)cc(c1)C
InChI=1SC22H22N2O4Sc13151014(2)1118(1215)289827176416(5717)131920(25)2322(29)2421(19)26h471013H389H212H3(H22324252629)
MFCD02017582
STK011987
ZINC000002945935
ZINC02945935
ZINC2945935
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