Vitas-M small molecule compound
2-{[(E)-{2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-5-nitrophenyl}methylidene]amino}-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL505837
SMILES Cc1cc(O)nc(n1)Sc1ccc(cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)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 C27H23N5O4S2 MW 545.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O4S2/c1-16-13-23(33)31-27(29-16)38-21-12-11-19(32(35)36)14-17(21)15-28-26-24(20-9-5-6-10-22(20)37-26)25(34)30-18-7-3-2-4-8-18/h2-4,7-8,11-15H,5-6,9-10H2,1H3,(H,30,34)(H,29,31,33)/b28-15+InChIKey
FBCVJIYLEUKYTE-RWPZCVJISA-NSynonyms
135628208
2(((E)(2((4hydroxy6methylpyrimidin2yl)sulfanyl)5nitrophenyl)methylidene)amino)Nphenyl4567tetrahydro1benzothiophene3carboxamide
2((~(E))(2((4methyl6oxo1~(H)pyrimidin2yl)sulfanyl)5nitrophenyl)methylideneamino)~(N)phenyl4567tetrahydro1benzothiophene3carboxamide
InChI=1SC27H23N5O4S2c1161323(33)3127(2916)3821121119(32(35)36)1417(21)15282624(209561022(20)3726)25(34)30187324818h24781115H56910H21H3(H3034)(H293133)b2815+
MFCD03763269
ZINC000003771889
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