Vitas-M small molecule compound
1,3-dimethyl-5-(naphthalen-1-ylmethyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL526786
SMILES S=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
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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 C29H30N4O3S MW 514.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S/c1-30-26(35)29(27(36)31(2)28(30)37,14-21-9-5-8-20-7-3-4-10-23(20)21)18-32-15-19-13-22(17-32)24-11-6-12-25(34)33(24)16-19/h3-12,19,22H,13-18H2,1-2H3/t19-,22+/m0/s1InChIKey
XGVAPKLTYQWYPJ-SIKLNZKXSA-NSynonyms
13dimethyl5(naphthalen1ylmethyl)5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
13dimethyl5(naphthalen1ylmethyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
InChI=1SC29H30N4O3Sc13026(35)29(27(36)31(2)28(30)371421958207341023(20)21)183215191322(1732)241161225(34)33(24)1619h3121922H1318H212H3t1922+m0s1
MFCD02057482
S=C1N(C)C(=O)C(C(=O)N1C)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1cccc2c1cccc2
ZINC000020112785
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