Vitas-M small molecule compound
ethyl {2-chloro-6-methoxy-4-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}acetate
Catalog ID
STK021345
SMILES CCOC(=O)COc1c(Cl)cc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)C
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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 C17H17ClN2O6S MW 412.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O6S/c1-4-25-13(21)8-26-14-11(18)6-9(7-12(14)24-3)5-10-15(22)19-17(27)20(2)16(10)23/h5-7H,4,8H2,1-3H3,(H,19,22,27)/b10-5+InChIKey
PTMZIYMQPFYOSN-BJMVGYQFSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1Cl)C=C2C(=O)NC(=S)N(C2=O)C)OC
CCOC(=O)COc1c(Cl)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)C
ETHYL(2CHLORO6METHOXY4((E)(1METHYL46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETATE
ETHYL2(2CHLORO6METHOXY4((E)(1METHYL46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC17H17ClN2O6Sc142513(21)8261411(18)69(712(14)243)51015(22)1917(27)20(2)16(10)23h57H48H213H3(H192227)b105+
MFCD04539579
STK021345
ZINC000004590479
ZINC04590479
ZINC4590479
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