Vitas-M small molecule compound

1,3-dimethyl-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-3-ylmethyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STL524540
SMILES O=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccsc1

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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(9-15-6-7-32-13-15,21(30)25(2)22(24)31)14-26-10-16-8-17(12-26)18-4-3-5-19(28)27(18)11-16/h3-7,13,16-17H,8-12,14H2,1-2H3/t16-,17+/m0/s1
InChIKey
YNVVPCSYJMWAJB-DLBZAZTESA-N
Synonyms

13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)5(thiophen3ylmethyl)pyrimidine246(1H3H5H)trione
13dimethyl5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)5(thiophen3ylmethyl)pyrimidine246(1H3H5H)trione
InChI=1SC23H26N4O4Sc12420(29)23(9156732131521(30)25(2)22(24)31)14261016817(1226)1843519(28)27(18)1116h37131617H81214H212H3t1617+m0s1
MFCD02056740
O=C1N(C)C(=O)C(C(=O)N1C)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccsc1
ZINC000061991209

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Available files

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