Vitas-M small molecule compound
methyl 4-{(Z)-[1-(2-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzoate
Catalog ID
STK197196
SMILES COC(=O)c1ccc(cc1)/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 C19H13FN2O4S MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13FN2O4S/c1-26-18(25)12-8-6-11(7-9-12)10-13-16(23)21-19(27)22(17(13)24)15-5-3-2-4-14(15)20/h2-10H,1H3,(H,21,23,27)/b13-10-InChIKey
XLUQWNKHOKHJOD-RAXLEYEMSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F
COC(=O)c1ccc(cc1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC19H13FN2O4Sc12618(25)128611(7912)101316(23)2119(27)22(17(13)24)15532414(15)20h210H1H3(H212327)b1310
METHYL4((Z)(1(2FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)BENZOATE
METHYL4((Z)(1(2FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)BENZOATE
MFCD06666528
ZINC000012363730
ZINC12363730
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