Vitas-M small molecule compound
methyl 3-amino-4-oxo-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxylate
Catalog ID
STL143305
SMILES COC(=O)c1ccc2c(c1)nc(n(c2=O)N)SCc1cccc(c1)C(F)(F)F
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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 C18H14F3N3O3S MW 409.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F3N3O3S/c1-27-16(26)11-5-6-13-14(8-11)23-17(24(22)15(13)25)28-9-10-3-2-4-12(7-10)18(19,20)21/h2-8H,9,22H2,1H3InChIKey
XVVUOUKHGZDVFL-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)N
InChI=1SC18H14F3N3O3Sc12716(26)11561314(811)2317(24(22)15(13)25)2891032412(710)18(1920)21h28H922H21H3
methyl3amino4oxo2((3(trifluoromethyl)benzyl)sulfanyl)34dihydroquinazoline7carboxylate
methyl3amino4oxo2((3(trifluoromethyl)phenyl)methylsulfanyl)quinazoline7carboxylate
MFCD20749087
ZINC000071327529
ZINC71327529
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