Vitas-M small molecule compound
3-{3-[(1,3-benzothiazol-2-ylcarbonyl)amino]propyl}-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL568777
SMILES O=C(c1nc2c(s1)cccc2)NCCCN1C(=O)C(C(=O)N)C2CC1(C)Oc1c2cccc1
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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 C24H24N4O4S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S/c1-24-13-15(14-7-2-4-9-17(14)32-24)19(20(25)29)23(31)28(24)12-6-11-26-21(30)22-27-16-8-3-5-10-18(16)33-22/h2-5,7-10,15,19H,6,11-13H2,1H3,(H2,25,29)(H,26,30)InChIKey
WERGXINKJDUFJL-UHFFFAOYSA-NSynonyms
10(3(13benzothiazole2carbonylamino)propyl)9methyl11oxo8oxa10azatricyclo(731027)trideca246triene12carboxamide
127254732
3(3((13benzothiazol2ylcarbonyl)amino)propyl)2methyl4oxo3456tetrahydro2H26methano13benzoxazocine5carboxamide
3(3(benzo(d)thiazole2carboxamido)propyl)2methyl4oxo3456tetrahydro2H26methanobenzo(g)(13)oxazocine5carboxamide
InChI=1SC24H24N4O4Sc1241315(14724917(14)3224)19(20(25)29)23(31)28(24)126112621(30)2227168351018(16)3322h257101519H61113H21H3(H22529)(H2630)
MFCD32653825
ZINC000604418746
ZINC000604418747
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