Vitas-M small molecule compound
(5Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-5-{[2-(methylsulfanyl)pyrimidin-5-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL439724
SMILES CSc1ncc(cn1)/C=C\1/C(=O)NC(=O)N(C1=O)CCC1=CCCCC1
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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 C18H20N4O3S MW 372.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O3S/c1-26-17-19-10-13(11-20-17)9-14-15(23)21-18(25)22(16(14)24)8-7-12-5-3-2-4-6-12/h5,9-11H,2-4,6-8H2,1H3,(H,21,23,25)/b14-9-InChIKey
PUCHNBHAFDAMFE-ZROIWOOFSA-NSynonyms
(5Z)1(2(cyclohex1en1yl)ethyl)5((2(methylsulfanyl)pyrimidin5yl)methylidene)pyrimidine246(1H3H5H)trione
(5Z)1(2(CYCLOHEXEN1YL)ETHYL)5((2METHYLSULFANYLPYRIMIDIN5YL)METHYLIDENE)13DIAZINANE246TRIONE
CSC1=NC=C(C=N1)C=C2C(=O)NC(=O)N(C2=O)CCC3=CCCCC3
CSc1ncc(cn1)C=C1C(=O)NC(=O)N(C1=O)CCC1=CCCCC1
InChI=1SC18H20N4O3Sc12617191013(112017)91415(23)2118(25)22(16(14)24)87125324612h5911H2468H21H3(H212325)b149
MFCD03138405
ZINC000015856663
ZINC15856663
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