Vitas-M small molecule compound
3,4,5-triethoxy-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK084268
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])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 C20H22FN3O6S MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3O6S/c1-4-28-16-9-12(10-17(29-5-2)18(16)30-6-3)19(25)23-20(31)22-13-7-8-14(21)15(11-13)24(26)27/h7-11H,4-6H2,1-3H3,(H2,22,23,25,31)InChIKey
FIHKVHGLBPZGSD-UHFFFAOYSA-NSynonyms
426220-20-4345TRIETHOXYN((4FLUORO3NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
426220204
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)F)(N+)(=O)(O)
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(c(c1)(N+)(=O)(O))F
InChI=1SC20H22FN3O6Sc142816912(1017(2952)18(16)3063)19(25)2320(31)22137814(21)15(1113)24(26)27h711H46H213H3(H222232531)
MFCD02630341
STK084268
ZINC000001171125
ZINC01171125
ZINC1171125
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