Vitas-M small molecule compound
(5E)-5-{[(4-{[2-(diethylammonio)ethoxy]carbonyl}phenyl)amino]methylidene}-4,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL042853
SMILES CC[NH+](CCOC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C(F)(F)F)[S-])CC
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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 C25H25F3N4O4S MW 534.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25F3N4O4S/c1-3-31(4-2)12-13-36-23(35)16-8-10-18(11-9-16)29-15-20-21(33)30-24(37)32(22(20)34)19-7-5-6-17(14-19)25(26,27)28/h5-11,14-15,29H,3-4,12-13H2,1-2H3,(H,30,33,37)/b20-15+InChIKey
RDTGQKCTNSELIJ-HMMYKYKNSA-NSynonyms
(5E)5(((4((2(diethylammonio)ethoxy)carbonyl)phenyl)amino)methylidene)46dioxo1(3(trifluoromethyl)phenyl)1456tetrahydropyrimidine2thiolate
(5E)5((4(2(DIETHYLAZANIUMYL)ETHOXYCARBONYL)ANILINO)METHYLIDENE)6OXO2SULFANYLIDENE1(3(TRIFLUOROMETHYL)PHENYL)PYRIMIDIN4OLATE
2(diethylamino)ethyl4(((E)(46dioxo2sulfanylidene1(3(trifluoromethyl)phenyl)13diazinan5ylidene)methyl)amino)benzoate
2DIETHYLAMINOETHYL4(((E)(46DIOXO2SULFANYLIDENE1(3(TRIFLUOROMETHYL)PHENYL)13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
CC(NH+)(CCOC(=O)c1ccc(cc1)NC=C1C(=O)N=C(N(C1=O)c1cccc(c1)C(F)(F)F)(S))CC
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(F)(F)F
InChI=1SC25H25F3N4O4Sc1331(42)12133623(35)1681018(11916)29152021(33)3024(37)32(22(20)34)1975617(1419)25(2627)28h511141529H341213H212H3(H303337)b2015+
MFCD18248191
ZINC000101191961
ZINC101191961
Check stock
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