Vitas-M small molecule compound
6-hydroxy-3-(4-methoxyphenyl)-5-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-5-(thiophen-2-ylmethyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL565756
SMILES COc1ccc(cc1)N1C(=O)N=C(C(C1=O)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccs1)O
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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 C28H28N4O5S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O5S/c1-37-21-9-7-20(8-10-21)32-26(35)28(25(34)29-27(32)36,13-22-4-3-11-38-22)17-30-14-18-12-19(16-30)23-5-2-6-24(33)31(23)15-18/h2-11,18-19H,12-17H2,1H3,(H,29,34,36)/t18-,19+,28?/m0/s1InChIKey
XBJYDSQMRDDDCT-NYCGYEKWSA-NSynonyms
6hydroxy3(4methoxyphenyl)5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)5(thiophen2ylmethyl)pyrimidine24(3H5H)dione
MFCD08731725
ZINC000002156144
ZINC000002156147
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