Vitas-M small molecule compound
4-ethoxy-N-({4-[5-(hydroxymethyl)furan-2-yl]phenyl}carbamothioyl)-3-nitrobenzamide
Catalog ID
STK344863
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1ccc(cc1)c1ccc(o1)CO
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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 C21H19N3O6S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6S/c1-2-29-19-9-5-14(11-17(19)24(27)28)20(26)23-21(31)22-15-6-3-13(4-7-15)18-10-8-16(12-25)30-18/h3-11,25H,2,12H2,1H3,(H2,22,23,26,31)InChIKey
DLMBJEKGFHHNFL-UHFFFAOYSA-NSynonyms
4ethoxyN((4(5(hydroxymethyl)furan2yl)phenyl)carbamothioyl)3nitrobenzamide
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1ccc(cc1)c1ccc(o1)CO
InChI=1SC21H19N3O6Sc1229199514(1117(19)24(27)28)20(26)2321(31)22156313(4715)1810816(1225)3018h31125H212H21H3(H222232631)
MFCD05988437
ZINC000002849819
ZINC02849819
ZINC2849819
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