Vitas-M small molecule compound
5-[(2-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-5-[(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
STL524672
SMILES COc1ccc2c(c1CC1(CN3C[C@H]4C[C@@H](C3)c3n(C4)c(=O)ccc3)C(=O)N(C)C(=S)N(C1=O)C)cccc2
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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 C30H32N4O4S MW 544.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O4S/c1-31-27(36)30(28(37)32(2)29(31)39,14-23-22-8-5-4-7-20(22)11-12-25(23)38-3)18-33-15-19-13-21(17-33)24-9-6-10-26(35)34(24)16-19/h4-12,19,21H,13-18H2,1-3H3/t19-,21+/m0/s1InChIKey
MJSDHWVSIRVBBF-PZJWPPBQSA-NSynonyms
5((2methoxynaphthalen1yl)methyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
5((2methoxynaphthalen1yl)methyl)13dimethyl5((8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
COc1ccc2c(c1CC1(CN3C(C@H)4C(C@H)(C3)c3n(C4)c(=O)ccc3)C(=O)N(C)C(=S)N(C1=O)C)cccc2
InChI=1SC30H32N4O4Sc13127(36)30(28(37)32(2)29(31)39142322854720(22)111225(23)383)183315191321(1733)24961026(35)34(24)1619h4121921H1318H213H3t1921+m0s1
MFCD02059024
ZINC000106900255
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