Vitas-M small molecule compound
4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenyl 2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonate
Catalog ID
STL431324
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc2c(c1)[nH]c(=O)[nH]2)/C=C(/c1nc2c([nH]1)cccc2)\C#N
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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 C24H17N5O5S MW 487.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N5O5S/c1-33-22-11-14(10-15(13-25)23-26-17-4-2-3-5-18(17)27-23)6-9-21(22)34-35(31,32)16-7-8-19-20(12-16)29-24(30)28-19/h2-12H,1H3,(H,26,27)(H2,28,29,30)/b15-10+InChIKey
QESMRXTZTVJVKB-XNTDXEJSSA-NSynonyms
(4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenyl)2oxo13dihydrobenzimidazole5sulfonate
4((E)2(1Hbenzimidazol2yl)2cyanoethenyl)2methoxyphenyl2oxo23dihydro1Hbenzimidazole5sulfonate
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5
COc1cc(ccc1OS(=O)(=O)c1ccc2c(c1)(nH)c(=O)(nH)2)C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC24H17N5O5Sc133221114(1015(1325)232617423518(17)2723)6921(22)3435(3132)16781920(1216)2924(30)2819h212H1H3(H2627)(H2282930)b1510+
MFCD03307216
ZINC000032099509
ZINC32099509
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