Vitas-M small molecule compound
2-ethoxy-4-[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 2-chlorobenzoate
Catalog ID
STK434085
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1Cl)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 C29H19ClF3N3O4S2 MW 630.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H19ClF3N3O4S2/c1-2-39-19-12-14(9-10-18(19)40-28(38)15-6-3-4-7-17(15)30)25-35-23-22-16(20-8-5-11-41-20)13-21(29(31,32)33)34-27(22)42-24(23)26(37)36-25/h3-13,25,35H,2H2,1H3,(H,36,37)InChIKey
BVEVJJAMZFDEOA-UHFFFAOYSA-NSynonyms
(2ethoxy4(4oxo9thiophen2yl7(trifluoromethyl)23dihydro1Hpyrido(23)thieno(24d)pyrimidin2yl)phenyl)2chlorobenzoate
2ethoxy4(4oxo9(thiophen2yl)7(trifluoromethyl)1234tetrahydropyrido(3245)thieno(32d)pyrimidin2yl)phenyl2chlorobenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C(=O)N2)SC4=C3C(=CC(=N4)C(F)(F)F)C5=CC=CS5)OC(=O)C6=CC=CC=C6Cl
InChI=1SC29H19ClF3N3O4S2c1239191214(91018(19)4028(38)15634717(15)30)2535232216(2085114120)1321(29(3132)33)3427(22)4224(23)26(37)3625h3132535H2H21H3(H3637)
MFCD03942616
ZINC000097949014
ZINC000097949015
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