Vitas-M small molecule compound

N-1,3-benzodioxol-5-yl-N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N~2~-(4-methoxybenzyl)valinamide

Catalog ID
STL438888
SMILES COc1ccc(cc1)CN(C(C(=O)Nc1ccc2c(c1)OCO2)C(C)C)C(=O)CSc1nc(C)cc(n1)C

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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 C28H32N4O5S MW 536.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O5S/c1-17(2)26(27(34)31-21-8-11-23-24(13-21)37-16-36-23)32(14-20-6-9-22(35-5)10-7-20)25(33)15-38-28-29-18(3)12-19(4)30-28/h6-13,17,26H,14-16H2,1-5H3,(H,31,34)
InChIKey
DWJCYGXQYWXIKK-UHFFFAOYSA-N
Synonyms

CC1=CC(=NC(=N1)SCC(=O)N(CC2=CC=C(C=C2)OC)C(C(C)C)C(=O)NC3=CC4=C(C=C3)OCO4)C
InChI=1SC28H32N4O5Sc117(2)26(27(34)31218112324(1321)37163623)32(14206922(355)10720)25(33)1538282918(3)1219(4)3028h6131726H1416H215H3(H3134)
MFCD06243954
N(13BENZODIOXOL5YL)2((2(46DIMETHYLPYRIMIDIN2YL)SULFANYLACETYL)((4METHOXYPHENYL)METHYL)AMINO)3METHYLBUTANAMIDE
N(BENZO(D)(13)DIOXOL5YL)2(2(46DIMETHYLPYRIMIDIN2YLTHIO)N(4METHOXYBENZYL)ACETAMIDO)3METHYLBUTANAMIDE
N13benzodioxol5ylN~2~(((46dimethylpyrimidin2yl)sulfanyl)acetyl)N~2~(4methoxybenzyl)valinamide
ZINC000001407918
ZINC000001407920
ZINC01407918

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Available files

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