Vitas-M small molecule compound
methyl N-{[2-(1H-pyrrol-1-yl)-1,3-benzothiazol-6-yl]carbonyl}phenylalaninate
Catalog ID
STK645381
SMILES COC(=O)C(NC(=O)c1ccc2c(c1)sc(n2)n1cccc1)Cc1ccccc1
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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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c1-28-21(27)18(13-15-7-3-2-4-8-15)23-20(26)16-9-10-17-19(14-16)29-22(24-17)25-11-5-6-12-25/h2-12,14,18H,13H2,1H3,(H,23,26)InChIKey
JPCVSYANFLIDKV-UHFFFAOYSA-NSynonyms
COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4
InChI=1SC22H19N3O3Sc12821(27)18(13157324815)2320(26)169101719(1416)2922(2417)2511561225h2121418H13H21H3(H2326)
methyl2(2(1Hpyrrol1yl)benzo(d)thiazole6carboxamido)3phenylpropanoate
methyl3phenyl2((2pyrrol1yl13benzothiazole6carbonyl)amino)propanoate
methylN((2(1Hpyrrol1yl)13benzothiazol6yl)carbonyl)phenylalaninate
MFCD12201369
ZINC000012389680
ZINC000012389681
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