Vitas-M small molecule compound
methyl 4-[(E)-(2-{[(1-ethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate
Catalog ID
STK053335
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nc2c(n1CC)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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-3-24-17-7-5-4-6-16(17)22-20(24)28-13-18(25)23-21-12-14-8-10-15(11-9-14)19(26)27-2/h4-12H,3,13H2,1-2H3,(H,23,25)/b21-12+InChIKey
XEMHPIKVPMSKEZ-CIAFOILYSA-NSynonyms
307347-15-5(E)methyl4((2(2((1ethyl1Hbenzo(d)imidazol2yl)thio)acetyl)hydrazono)methyl)benzoate
307347155
CCN1C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nc2c(n1CC)cccc2
InChI=1SC20H20N4O3Sc132417754616(17)2220(24)281318(25)2321121481015(11914)19(26)272h412H313H212H3(H2325)b2112+
METHYL4((1E)2(2(1ETHYLBENZIMIDAZOL2YLTHIO)ACETYLAMINO)2AZAVINYL)BENZOATE
methyl4((E)((2(1ethylbenzimidazol2yl)sulfanylacetyl)hydrazinylidene)methyl)benzoate
METHYL4((E)(2(((1ETHYL1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4(2(((1ETHYL1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)CARBOHYDRAZONOYL)BENZOATE
MFCD01842128
STK053335
ZINC000000730028
ZINC33336584
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.