Vitas-M small molecule compound
ethyl (5-bromo-4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK188093
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(OC)c(cc2Br)OCC(=O)OCC)/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 C19H19BrN2O6S MW 483.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN2O6S/c1-4-6-22-18(25)12(17(24)21-19(22)29)7-11-8-14(26-3)15(9-13(11)20)28-10-16(23)27-5-2/h4,7-9H,1,5-6,10H2,2-3H3,(H,21,24,29)/b12-7-InChIKey
VYXLKMOCSVMXBK-GHXNOFRVSA-NSynonyms
C=CCN1C(=S)NC(=O)C(=Cc2cc(OC)c(cc2Br)OCC(=O)OCC)C1=O
CCOC(=O)COC1=C(C=C(C(=C1)Br)C=C2C(=O)NC(=S)N(C2=O)CC=C)OC
ETHYL(5BROMO4((Z)(46DIOXO1(PROP2EN1YL)2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
ETHYL2(5BROMO4((Z)(46DIOXO1PROP2ENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
InChI=1SC19H19BrN2O6Sc1462218(25)12(17(24)2119(22)29)711814(263)15(913(11)20)281016(23)2752h479H15610H223H3(H212429)b127
MFCD04603027
ZINC000016682822
ZINC16682822
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