Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamide
Catalog ID
STL144359
SMILES COc1ccc(cc1)c1c[nH]c2c1ncnc2SCC(=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 C22H18N4O4S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4S/c1-28-15-5-2-13(3-6-15)16-9-23-21-20(16)24-11-25-22(21)31-10-19(27)26-14-4-7-17-18(8-14)30-12-29-17/h2-9,11,23H,10,12H2,1H3,(H,26,27)InChIKey
XLIUAEPAJSFEPJ-UHFFFAOYSA-NSynonyms
1251613-01-01251613010
COC1=CC=C(C=C1)C2=CNC3=C2N=CN=C3SCC(=O)NC4=CC5=C(C=C4)OCO5
COc1ccc(cc1)c1c(nH)c2c1ncnc2SCC(=O)Nc1ccc2c(c1)OCO2
InChI=1SC22H18N4O4Sc128155213(3615)169232120(16)24112522(21)311019(27)2614471718(814)30122917h291123H1012H21H3(H2627)
MFCD16636009
N(13benzodioxol5yl)2((7(4methoxyphenyl)5Hpyrrolo(32d)pyrimidin4yl)sulfanyl)acetamide
N(BENZO(D)(13)DIOXOL5YL)2((7(4METHOXYPHENYL)5HPYRROLO(32D)PYRIMIDIN4YL)THIO)ACETAMIDE
N13BENZODIOXOL5YL2((7(4METHOXYPHENYL)5HPYRROLO(32D)PYRIMIDIN4YL)THIO)ACETAMIDE
ZINC000048989202
ZINC48989202
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