Vitas-M small molecule compound
(5Z)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-sulfanyl-1-(3,4,5-trimethoxyphenyl)pyrimidine-4,6(1H,5H)-dione
Catalog ID
STL046368
SMILES COc1cc(cc(c1OC)OC)N1C(=NC(=O)/C(=C/C=C/c2ccco2)/C1=O)S
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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 C20H18N2O6S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S/c1-25-15-10-12(11-16(26-2)17(15)27-3)22-19(24)14(18(23)21-20(22)29)8-4-6-13-7-5-9-28-13/h4-11H,1-3H3,(H,21,23,29)/b6-4+,14-8-InChIKey
OSKWUAOCMAIICQ-QHOJYGHMSA-NSynonyms
(5Z)5((2E)3(furan2yl)prop2en1ylidene)2sulfanyl1(345trimethoxyphenyl)pyrimidine46(1H5H)dione
(5Z)5((E)3(FURAN2YL)PROP2ENYLIDENE)2SULFANYLIDENE1(345TRIMETHOXYPHENYL)13DIAZINANE46DIONE
COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=CC=CC3=CC=CO3)C(=O)NC2=S
COc1cc(cc(c1OC)OC)N1C(=NC(=O)C(=CC=Cc2ccco2)C1=O)S
InChI=1SC20H18N2O6Sc125151012(1116(262)17(15)273)2219(24)14(18(23)2120(22)29)846137592813h411H13H3(H212329)b64+148
MFCD03816407
ZINC000006858304
ZINC06858304
ZINC6858304
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