Vitas-M small molecule compound
ethyl 4-({(E)-[1-(4-fluorobenzyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)benzoate
Catalog ID
STK563407
SMILES CCOC(=O)c1ccc(cc1)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 C21H18FN3O4S MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O4S/c1-2-29-20(28)14-5-9-16(10-6-14)23-11-17-18(26)24-21(30)25(19(17)27)12-13-3-7-15(22)8-4-13/h3-11,23H,2,12H2,1H3,(H,24,26,30)/b17-11+InChIKey
TYGQGXXZAJLTCW-GZTJUZNOSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F
CCOC(=O)c1ccc(cc1)NC=C1C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S
ETHYL4(((E)(1((4FLUOROPHENYL)METHYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
ethyl4(((E)(1(4fluorobenzyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)amino)benzoate
InChI=1SC21H18FN3O4Sc122920(28)145916(10614)23111718(26)2421(30)25(19(17)27)12133715(22)8413h31123H212H21H3(H242630)b1711+
MFCD04078717
ZINC000009313241
ZINC09313241
ZINC9313241
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