Vitas-M small molecule compound
5-{3-chloro-5-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK113424
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)Cl
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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 C19H11ClF3N3O6S MW 501.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11ClF3N3O6S/c1-31-14-6-8(4-10-16(27)24-18(33)25-17(10)28)5-11(20)15(14)32-13-3-2-9(19(21,22)23)7-12(13)26(29)30/h2-7H,1H3,(H2,24,25,27,28,33)InChIKey
UVIKIVFXOVHGJR-UHFFFAOYSA-NSynonyms
5((3CHLORO5METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((3CHLORO5METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(3CHLORO5METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)Cl
InChI=1SC19H11ClF3N3O6Sc1311468(41016(27)2418(33)2517(10)28)511(20)15(14)3213329(19(2122)23)712(13)26(29)30h27H1H3(H22425272833)
MFCD04127634
ZINC000012628078
ZINC12628078
Check stock
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Check stock on Vitas-MAvailable files
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