Vitas-M small molecule compound
3-[4-oxo-9-(thiophen-2-yl)-7-(trifluoromethyl)-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]phenyl benzoate
Catalog ID
STK434095
SMILES O=C(c1ccccc1)Oc1cccc(c1)C1NC(=O)c2c(N1)c1c(s2)nc(cc1c1cccs1)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 C27H16F3N3O3S2 MW 551.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H16F3N3O3S2/c28-27(29,30)19-13-17(18-10-5-11-37-18)20-21-22(38-25(20)31-19)24(34)33-23(32-21)15-8-4-9-16(12-15)36-26(35)14-6-2-1-3-7-14/h1-13,23,32H,(H,33,34)InChIKey
GFAAJMFZJKCTSA-UHFFFAOYSA-NSynonyms
(3(4oxo9thiophen2yl7(trifluoromethyl)23dihydro1Hpyrido(23)thieno(24d)pyrimidin2yl)phenyl)benzoate
3(4oxo9(thiophen2yl)7(trifluoromethyl)1234tetrahydropyrido(3245)thieno(32d)pyrimidin2yl)phenylbenzoate
C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C3NC4=C(C(=O)N3)SC5=C4C(=CC(=N5)C(F)(F)F)C6=CC=CS6
InChI=1SC27H16F3N3O3S2c2827(2930)191317(18105113718)202122(3825(20)3119)24(34)3323(3221)1584916(1215)3626(35)146213714h1132332H(H3334)
MFCD03943356
ZINC000097948075
ZINC000097948076
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