Vitas-M small molecule compound

3,4,5-triethoxy-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide

Catalog ID
STK087540
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1cc(ccc1F)[N+](=O)[O-]

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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)22-15-11-13(24(26)27)7-8-14(15)21/h7-11H,4-6H2,1-3H3,(H2,22,23,25,31)
InChIKey
IFHBCRFIHBJOPZ-UHFFFAOYSA-N
Synonyms
6482-21-9
345TRIETHOXYN((2FLUORO5NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
6482219
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)(N+)(=O)(O))F
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1cc(ccc1F)(N+)(=O)(O)
InChI=1SC20H22FN3O6Sc142816912(1017(2952)18(16)3063)19(25)2320(31)22151113(24(26)27)7814(15)21h711H46H213H3(H222232531)
MFCD02630297
STK087540
ZINC000001174155
ZINC01174155
ZINC1174155

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Available files

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