Vitas-M small molecule compound
[4-hydroxy-6-(4-hydroxy-3-nitrophenyl)-2-thioxo-4-(trifluoromethyl)hexahydropyrimidin-5-yl](thiophen-2-yl)methanone
Catalog ID
STL091064
SMILES S=C1NC(c2ccc(c(c2)[N+](=O)[O-])O)C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1
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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 C16H12F3N3O5S2 MW 447.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F3N3O5S2/c17-16(18,19)15(25)11(13(24)10-2-1-5-29-10)12(20-14(28)21-15)7-3-4-9(23)8(6-7)22(26)27/h1-6,11-12,23,25H,(H2,20,21,28)InChIKey
BYOFVPUEDDYENS-UHFFFAOYSA-NSynonyms
(4HYDROXY6(4HYDROXY3NITROPHENYL)2SULFANYLIDENE4(TRIFLUOROMETHYL)13DIAZINAN5YL)THIOPHEN2YLMETHANONE
(4hydroxy6(4hydroxy3nitrophenyl)2thioxo4(trifluoromethyl)hexahydropyrimidin5yl)(thiophen2yl)methanone
C1=CSC(=C1)C(=O)C2C(NC(=S)NC2(C(F)(F)F)O)C3=CC(=C(C=C3)O)(N+)(=O)(O)
InChI=1SC16H12F3N3O5S2c1716(1819)15(25)11(13(24)102152910)12(2014(28)2115)7349(23)8(67)22(26)27h1611122325H(H2202128)
MFCD02167271
S=C1NC(c2ccc(c(c2)(N+)(=O)(O))O)C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1
ZINC000011990794
ZINC000036096792
Check stock
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