Vitas-M small molecule compound
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide
Catalog ID
STL438883
SMILES COc1c(OC)cc(cc1OC)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1C)C(=O)Nc1ccc2c(c1)OCO2
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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 C34H36N4O7S MW 644.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N4O7S/c1-20-9-7-8-10-23(20)17-38(30(39)18-46-34-35-21(2)13-22(3)36-34)31(24-14-28(41-4)32(43-6)29(15-24)42-5)33(40)37-25-11-12-26-27(16-25)45-19-44-26/h7-16,31H,17-19H2,1-6H3,(H,37,40)InChIKey
KGNAEVAIJDSQHI-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1CN(C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CSC5=NC(=CC(=N5)C)C
InChI=1SC34H36N4O7Sc1209781023(20)1738(30(39)1846343521(2)1322(3)3634)31(241428(414)32(436)29(1524)425)33(40)372511122627(1625)45194426h71631H1719H216H3(H3740)
MFCD06243949
N(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)2(345TRIMETHOXYPHENYL)ACETAMIDE
N(2(13benzodioxol5ylamino)2oxo1(345trimethoxyphenyl)ethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(2methylbenzyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2METHYLBENZYL)ACETAMIDO)2(345TRIMETHOXYPHENYL)ACETAMIDE
ZINC000150345848
ZINC000150345850
Check stock
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Check stock on Vitas-MAvailable files
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