Vitas-M small molecule compound
4-ethoxy-N-(naphthalen-2-ylcarbamothioyl)-3-nitrobenzamide
Catalog ID
STK020861
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc2c(c1)cccc2
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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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-2-27-18-10-8-15(12-17(18)23(25)26)19(24)22-20(28)21-16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H2,21,22,24,28)InChIKey
MDIHHOWKNMWFQS-UHFFFAOYSA-NSynonyms
4ETHOXYN(NAPHTHALEN2YLCARBAMOTHIOYL)3NITROBENZAMIDE
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=CC=CC=C3C=C2)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc2c(c1)cccc2
InChI=1SC20H17N3O4Sc12271810815(1217(18)23(25)26)19(24)2220(28)21169713534614(13)1116h312H2H21H3(H221222428)
MFCD02626962
STK020861
ZINC000001174584
ZINC01174584
ZINC1174584
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