Vitas-M small molecule compound
3-{[(E)-{2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK158121
SMILES [O-][N+](=O)c1cc(ccc1Oc1ccccc1/C=N/n1cnc2c(c1=O)c1CCCCc1s2)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 C24H17F3N4O4S MW 514.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17F3N4O4S/c25-24(26,27)15-9-10-19(17(11-15)31(33)34)35-18-7-3-1-5-14(18)12-29-30-13-28-22-21(23(30)32)16-6-2-4-8-20(16)36-22/h1,3,5,7,9-13H,2,4,6,8H2/b29-12+InChIKey
LYJWNUUCSHLOMZ-XKJRVUDJSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1Oc1ccccc1C=Nn1cnc2c(c1=O)c1CCCCc1s2)C(F)(F)F
3(((E)(2(2nitro4(trifluoromethyl)phenoxy)phenyl)methylidene)amino)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3((E)(2(2nitro4(trifluoromethyl)phenoxy)phenyl)methylideneamino)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC=CC=C4OC5=C(C=C(C=C5)C(F)(F)F)(N+)(=O)(O)
InChI=1SC24H17F3N4O4Sc2524(2627)1591019(17(1115)31(33)34)3518731514(18)12293013282221(23(30)32)16624820(16)3622h1357913H2468H2b2912+
MFCD07037472
ZINC000009234954
ZINC34701198
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