Vitas-M small molecule compound
5-{4-[2-(4-hexylphenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK014697
SMILES CCCCCCc1ccc(cc1)OCCOc1ccc(cc1)C=C1C(=O)NC(=S)NC1=O
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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 C25H28N2O4S MW 452.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4S/c1-2-3-4-5-6-18-7-11-20(12-8-18)30-15-16-31-21-13-9-19(10-14-21)17-22-23(28)26-25(32)27-24(22)29/h7-14,17H,2-6,15-16H2,1H3,(H2,26,27,28,29,32)InChIKey
VQEPJAJEWUVJRR-UHFFFAOYSA-NSynonyms
5((4(2(4HEXYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(4(2(4HEXYLPHENOXY)ETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCCCCCC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O
CCCCCCc1ccc(cc1)OCCOc1ccc(cc1)C=C1C(=O)NC(=S)NC1=O
InChI=1SC25H28N2O4Sc1234561871120(12818)301516312113919(101421)172223(28)2625(32)2724(22)29h71417H261516H21H3(H22627282932)
MFCD03183750
STK014697
ZINC000013940084
ZINC13940084
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