Vitas-M small molecule compound
5-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-nitrobenzamide
Catalog ID
STK375422
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(Cl)ccc1[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 C18H16ClN3O3S MW 389.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O3S/c1-2-10-3-5-12-14(9-20)18(26-16(12)7-10)21-17(23)13-8-11(19)4-6-15(13)22(24)25/h4,6,8,10H,2-3,5,7H2,1H3,(H,21,23)InChIKey
IAAJFZLCWYPHIY-UHFFFAOYSA-NSynonyms
353475-88-4353475884
5chloroN(3cyano6ethyl4567tetrahydro1benzothiophen2yl)2nitrobenzamide
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cc(Cl)ccc1(N+)(=O)(O)
InChI=1SC18H16ClN3O3Sc1210351214(920)18(2616(12)710)2117(23)13811(19)4615(13)22(24)25h46810H2357H21H3(H2123)
MFCD01340178
ZINC000000995171
ZINC000000995172
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