Vitas-M small molecule compound
N-benzyl-2-({(E)-[5-nitro-2-(pyrimidin-2-ylsulfanyl)phenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL505838
SMILES O=C(c1c(/N=C/c2cc(ccc2Sc2ncccn2)[N+](=O)[O-])sc2c1CCCC2)NCc1ccccc1
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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 C27H23N5O3S2 MW 529.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O3S2/c33-25(30-16-18-7-2-1-3-8-18)24-21-9-4-5-10-23(21)36-26(24)31-17-19-15-20(32(34)35)11-12-22(19)37-27-28-13-6-14-29-27/h1-3,6-8,11-15,17H,4-5,9-10,16H2,(H,30,33)/b31-17+InChIKey
SHSCQSIYNJDZFU-KBVAKVRCSA-NSynonyms
~(N)benzyl2((~(E))(5nitro2pyrimidin2ylsulfanylphenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
9656566
InChI=1SC27H23N5O3S2c3325(3016187213818)24219451023(21)3626(24)3117191520(32(34)35)111222(19)372728136142927h1368111517H4591016H2(H3033)b3117+
MFCD05149857
Nbenzyl2(((E)(5nitro2(pyrimidin2ylsulfanyl)phenyl)methylidene)amino)4567tetrahydro1benzothiophene3carboxamide
ZINC000003771853
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