Vitas-M small molecule compound
N-tert-butyl-3-chloro-7-{[(4-nitrophenoxy)acetyl]amino}-1-benzothiophene-2-carboxamide
Catalog ID
STK336661
SMILES O=C(Nc1cccc2c1sc(c2Cl)C(=O)NC(C)(C)C)COc1ccc(cc1)[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 C21H20ClN3O5S MW 461.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O5S/c1-21(2,3)24-20(27)19-17(22)14-5-4-6-15(18(14)31-19)23-16(26)11-30-13-9-7-12(8-10-13)25(28)29/h4-10H,11H2,1-3H3,(H,23,26)(H,24,27)InChIKey
NJGJYOJRRPWFID-UHFFFAOYSA-NSynonyms
CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)COC3=CC=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC21H20ClN3O5Sc121(23)2420(27)1917(22)1454615(18(14)3119)2316(26)1130139712(81013)25(28)29h410H11H213H3(H2326)(H2427)
MFCD07086584
Ntertbutyl3chloro7(((4nitrophenoxy)acetyl)amino)1benzothiophene2carboxamide
Ntertbutyl3chloro7((2(4nitrophenoxy)acetyl)amino)1benzothiophene2carboxamide
O=C(Nc1cccc2c1sc(c2Cl)C(=O)NC(C)(C)C)COc1ccc(cc1)(N+)(=O)(O)
ZINC000012843052
ZINC12843052
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