Vitas-M small molecule compound
N-{1-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)amino]-2-oxoethyl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(2-methylbenzyl)acetamide
Catalog ID
STL437586
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)CSc1nc(C)cc(n1)C)Cc1ccccc1C)c1ccc2c(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 C32H32N4O5S MW 584.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O5S/c1-20-7-5-6-8-24(20)17-36(29(37)18-42-32-33-21(2)15-22(3)34-32)30(23-9-14-27-28(16-23)41-19-40-27)31(38)35-25-10-12-26(39-4)13-11-25/h5-16,30H,17-19H2,1-4H3,(H,35,38)InChIKey
HEAHYAQGKNTMGV-UHFFFAOYSA-NSynonyms
2(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((2METHYLPHENYL)METHYL)AMINO)N(4METHOXYPHENYL)ACETAMIDE
2(BENZO(D)(13)DIOXOL5YL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(2METHYLBENZYL)ACETAMIDO)N(4METHOXYPHENYL)ACETAMIDE
CC1=CC=CC=C1CN(C(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)OC)C(=O)CSC5=NC(=CC(=N5)C)C
InChI=1SC32H32N4O5Sc120756824(20)1736(29(37)1842323321(2)1522(3)3432)30(239142728(1623)41194027)31(38)3525101226(394)131125h51630H1719H214H3(H3538)
MFCD06243662
N(1(13benzodioxol5yl)2((4methoxyphenyl)amino)2oxoethyl)2((46dimethylpyrimidin2yl)sulfanyl)N(2methylbenzyl)acetamide
ZINC000001407548
ZINC000001407549
Check stock
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Check stock on Vitas-MAvailable files
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