Vitas-M small molecule compound

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

Catalog ID
STK070531
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1cccc(c1)[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 C20H23N3O6S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O6S/c1-4-27-16-10-13(11-17(28-5-2)18(16)29-6-3)19(24)22-20(30)21-14-8-7-9-15(12-14)23(25)26/h7-12H,4-6H2,1-3H3,(H2,21,22,24,30)
InChIKey
KGZOELYTXWNQBP-UHFFFAOYSA-N
Synonyms

345TRIETHOXYN((3NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=CC=C2)(N+)(=O)(O)
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H23N3O6Sc1427161013(1117(2852)18(16)2963)19(24)2220(30)211487915(1214)23(25)26h712H46H213H3(H221222430)
MFCD02630296
STK070531
ZINC000001173056
ZINC01173056
ZINC1173056

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Available files

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