Vitas-M small molecule compound
methyl (4-{(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK197555
SMILES COC(=O)COc1ccc(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1F
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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 C21H17FN2O6S MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN2O6S/c1-28-17-10-12(7-8-16(17)30-11-18(25)29-2)9-13-19(26)23-21(31)24(20(13)27)15-6-4-3-5-14(15)22/h3-10H,11H2,1-2H3,(H,23,26,31)/b13-9-InChIKey
FIJVTSUHJWXYJM-LCYFTJDESA-NSynonyms
347386-83-8347386838
COC(=O)COc1ccc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OCC(=O)OC
InChI=1SC21H17FN2O6Sc128171012(7816(17)301118(25)292)91319(26)2321(31)24(20(13)27)15643514(15)22h310H11H212H3(H232631)b139
METHYL(4((Z)(1(2FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
METHYL2(4((Z)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
MFCD02904984
ZINC000012363826
ZINC12363826
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