Vitas-M small molecule compound
3-chloro-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide
Catalog ID
STK294747
SMILES Cc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1sc2c(c1Cl)cccc2[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 C22H14ClN5O3S MW 463.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN5O3S/c1-12-5-8-14(9-6-12)27-25-16-10-7-13(11-17(16)26-27)24-22(29)21-19(23)15-3-2-4-18(28(30)31)20(15)32-21/h2-11H,1H3,(H,24,29)InChIKey
CSOKHYAIPOFQED-UHFFFAOYSA-NSynonyms
3chloroN(2(4methylphenyl)2Hbenzotriazol5yl)7nitro1benzothiophene2carboxamide
3chloroN(2(4methylphenyl)benzotriazol5yl)7nitro1benzothiophene2carboxamide
CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C5=C(S4)C(=CC=C5)(N+)(=O)(O))Cl
Cc1ccc(cc1)n1nc2c(n1)cc(cc2)NC(=O)c1sc2c(c1Cl)cccc2(N+)(=O)(O)
InChI=1SC22H14ClN5O3Sc1125814(9612)27251610713(1117(16)2627)2422(29)2119(23)1532418(28(30)31)20(15)3221h211H1H3(H2429)
MFCD07086485
ZINC000013946205
ZINC13946205
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