Vitas-M small molecule compound
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide
Catalog ID
STK355793
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1sc2c(c1C#N)CCC(C2)C
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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 C20H20N4O4S2 MW 444.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S2/c1-3-28-16-7-5-12(9-15(16)24(26)27)18(25)22-20(29)23-19-14(10-21)13-6-4-11(2)8-17(13)30-19/h5,7,9,11H,3-4,6,8H2,1-2H3,(H2,22,23,25,29)InChIKey
UFFGDLPHPASWKF-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C#N)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1sc2c(c1C#N)CCC(C2)C
InChI=1SC20H20N4O4S2c1328167512(915(16)24(26)27)18(25)2220(29)231914(1021)136411(2)817(13)3019h57911H3468H212H3(H222232529)
MFCD03907849
N((3cyano6methyl4567tetrahydro1benzothiophen2yl)carbamothioyl)4ethoxy3nitrobenzamide
ZINC000016692991
ZINC000016692993
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