Vitas-M small molecule compound
3,4,5-triethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide
Catalog ID
STK071274
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(cc1OC)[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 C21H25N3O7S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O7S/c1-5-29-17-10-13(11-18(30-6-2)19(17)31-7-3)20(25)23-21(32)22-15-9-8-14(24(26)27)12-16(15)28-4/h8-12H,5-7H2,1-4H3,(H2,22,23,25,32)InChIKey
OXDPQIUWFVHQTH-UHFFFAOYSA-NSynonyms
345TRIETHOXYN((2METHOXY4NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2)(N+)(=O)(O))OC
CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(cc1OC)(N+)(=O)(O)
InChI=1SC21H25N3O7Sc1529171013(1118(3062)19(17)3173)20(25)2321(32)22159814(24(26)27)1216(15)284h812H57H214H3(H222232532)
MFCD02630333
STK071274
ZINC000009635864
ZINC09635864
ZINC9635864
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