Vitas-M small molecule compound
methyl (4-{(E)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK187207
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OCC(=O)OC)/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 C18H18N2O6S MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O6S/c1-4-7-20-17(23)12(16(22)19-18(20)27)8-11-5-6-13(14(9-11)24-2)26-10-15(21)25-3/h4-6,8-9H,1,7,10H2,2-3H3,(H,19,22,27)/b12-8+InChIKey
XDQADBGATKFYSK-XYOKQWHBSA-NSynonyms
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCC(=O)OC)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC(=O)OC
InChI=1SC18H18N2O6Sc1472017(23)12(16(22)1918(20)27)8115613(14(911)242)261015(21)253h4689H1710H223H3(H192227)b128+
METHYL(4((E)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
METHYL2(4((E)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
MFCD03699185
ZINC000004723740
ZINC04723740
ZINC4723740
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