Vitas-M small molecule compound
N-benzyl-2-({(E)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK742467
SMILES Clc1ccc(c(c1)[N+](=O)[O-])c1ccc(o1)/C=N/c1sc2c(c1C(=O)NCc1ccccc1)CCCC2
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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 C27H22ClN3O4S MW 520.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O4S/c28-18-10-12-20(22(14-18)31(33)34)23-13-11-19(35-23)16-30-27-25(21-8-4-5-9-24(21)36-27)26(32)29-15-17-6-2-1-3-7-17/h1-3,6-7,10-14,16H,4-5,8-9,15H2,(H,29,32)/b30-16+InChIKey
MXEZONMODYQBMZ-OKCVXOCRSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)(N+)(=O)(O))C(=O)NCC5=CC=CC=C5
Clc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2
InChI=1SC27H22ClN3O4Sc2818101220(22(1418)31(33)34)23131119(3523)16302725(21845924(21)3627)26(32)2915176213717h1367101416H458915H2(H2932)b3016+
MFCD02190651
Nbenzyl2(((E)(5(4chloro2nitrophenyl)furan2yl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
Nbenzyl2((E)(5(4chloro2nitrophenyl)furan2yl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000102656325
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