Vitas-M small molecule compound
1,3-dimethyl-5-{[(1S,5S)-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-2,4,6(1H,3H,5H)-trione
Catalog ID
STL558319
SMILES O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1cccs1
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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 C23H26N4O4S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S/c1-24-20(29)23(10-17-5-4-8-32-17,21(30)25(2)22(24)31)14-26-11-15-9-16(13-26)18-6-3-7-19(28)27(18)12-15/h3-8,15-16H,9-14H2,1-2H3/t15-,16-/m0/s1InChIKey
XMTILPPLYRGQKH-HOTGVXAUSA-NSynonyms
1214625-87-21214625872
13dimethyl5(((1~(S)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)methyl)5(thiophen2ylmethyl)13diazinane246trione
13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)5(thiophen2ylmethyl)pyrimidine246(1H3H5H)trione
13dimethyl5(((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)5(thiophen2ylmethyl)pyrimidine246(1H3H5H)trione
16396138
InChI=1SC23H26N4O4Sc12420(29)23(1017548321721(30)25(2)22(24)31)14261115916(1326)1863719(28)27(18)1215h381516H914H212H3t1516m0s1
MFCD01547843
O=C1N(C)C(=O)C(C(=O)N1C)(CN1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)Cc1cccs1
ZINC000100742981
ZINC100742981
Check stock
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Check stock on Vitas-MAvailable files
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