Vitas-M small molecule compound
methyl 4-({[3-(2-fluorobenzyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}amino)benzoate
Catalog ID
STL030349
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1ccs2
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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 C23H18FN3O5S MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FN3O5S/c1-32-22(30)14-6-8-16(9-7-14)25-19(28)13-26-18-10-11-33-20(18)21(29)27(23(26)31)12-15-4-2-3-5-17(15)24/h2-11H,12-13H2,1H3,(H,25,28)InChIKey
NUHIYUOBEBBBMC-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4F)SC=C3
InChI=1SC23H18FN3O5Sc13222(30)146816(9714)2519(28)13261810113320(18)21(29)27(23(26)31)1215423517(15)24h211H1213H21H3(H2528)
methyl4(((3(2fluorobenzyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)amino)benzoate
methyl4((2(3((2fluorophenyl)methyl)24dioxothieno(32d)pyrimidin1yl)acetyl)amino)benzoate
MFCD18190537
ZINC000057426777
ZINC57426777
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