Vitas-M small molecule compound
methyl 3-({(E)-[1-(4-fluorobenzyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)benzoate
Catalog ID
STL053869
SMILES COC(=O)c1cccc(c1)N/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S
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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 C20H16FN3O4S MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O4S/c1-28-19(27)13-3-2-4-15(9-13)22-10-16-17(25)23-20(29)24(18(16)26)11-12-5-7-14(21)8-6-12/h2-10,22H,11H2,1H3,(H,23,25,29)/b16-10+InChIKey
LLBAEHCGAHMPQL-MHWRWJLKSA-NSynonyms
COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F
COC(=O)c1cccc(c1)NC=C1C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S
InChI=1SC20H16FN3O4Sc12819(27)1332415(913)22101617(25)2320(29)24(18(16)26)11125714(21)8612h21022H11H21H3(H232529)b1610+
METHYL3(((E)(1((4FLUOROPHENYL)METHYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
methyl3(((E)(1(4fluorobenzyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)benzoate
MFCD05729669
ZINC000002372967
ZINC02372967
ZINC2372967
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