Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187216
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(cc2)OCc2ccccc2)/C1=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 C21H18N2O3S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3S/c1-2-12-23-20(25)18(19(24)22-21(23)27)13-15-8-10-17(11-9-15)26-14-16-6-4-3-5-7-16/h2-11,13H,1,12,14H2,(H,22,24,27)/b18-13+InChIKey
OOVHJLRKNMLIQQ-QGOAFFKASA-NSynonyms
(5E)5((4PHENYLMETHOXYPHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4(BENZYLOXY)BENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(cc2)OCc2ccccc2)C1=O
InChI=1SC21H18N2O3Sc12122320(25)18(19(24)2221(23)27)131581017(11915)2614166435716h21113H11214H2(H222427)b1813+
MFCD04583359
ZINC000004723742
ZINC04723742
ZINC4723742
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