Vitas-M small molecule compound
2-(4-{(E)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenoxy)-N-(4-nitrophenyl)acetamide
Catalog ID
STK376929
SMILES COc1cc(ccc1OCC(=O)Nc1ccc(cc1)[N+](=O)[O-])/C=N/c1sc2c(c1C#N)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 C25H22N4O5S MW 490.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O5S/c1-33-22-12-16(14-27-25-20(13-26)19-4-2-3-5-23(19)35-25)6-11-21(22)34-15-24(30)28-17-7-9-18(10-8-17)29(31)32/h6-12,14H,2-5,15H2,1H3,(H,28,30)/b27-14+InChIKey
VCMGVYBZFHQPJD-MZJWZYIUSA-NSynonyms
2(4((E)((3cyano4567tetrahydro1benzothiophen2yl)imino)methyl)2methoxyphenoxy)N(4nitrophenyl)acetamide
2(4((E)(3cyano4567tetrahydro1benzothiophen2yl)iminomethyl)2methoxyphenoxy)N(4nitrophenyl)acetamide
COC1=C(C=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OCC(=O)NC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1OCC(=O)Nc1ccc(cc1)(N+)(=O)(O))C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC25H22N4O5Sc133221216(14272520(1326)19423523(19)3525)61121(22)341524(30)28177918(10817)29(31)32h61214H2515H21H3(H2830)b2714+
MFCD01157001
ZINC000004179997
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