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5-(1,2-dihydroacenaphthylen-5-ylmethyl)-1,3-dimethyl-5-{[(1R,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
STL566050
SMILES S=C1N(C)C(=O)C(C(=O)N1C)(CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccc2c3c1cccc3CC2

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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 C31H32N4O3S MW 540.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O3S/c1-32-28(37)31(29(38)33(2)30(32)39,14-22-12-11-21-10-9-20-5-3-6-24(22)27(20)21)18-34-15-19-13-23(17-34)25-7-4-8-26(36)35(25)16-19/h3-8,11-12,19,23H,9-10,13-18H2,1-2H3/t19-,23+/m0/s1
InChIKey
NOCXDRBBNGETSX-WMZHIEFXSA-N
Synonyms

5((12dihydroacenaphthylen5yl)methyl)13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
5(12dihydroacenaphthylen5ylmethyl)13dimethyl5(((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)2thioxodihydropyrimidine46(1H5H)dione
5(12dihydroacenaphthylen5ylmethyl)13dimethyl5(((1R9S)6oxo711diazatricyclo(731027)trideca24dien11yl)methyl)2sulfanylidene13diazinane46dione
99977106
InChI=1SC31H32N4O3Sc13228(37)31(29(38)33(2)30(32)3914221211211092053624(22)27(20)21)183415191323(1734)2574826(36)35(25)1619h3811121923H9101318H212H3t1923+m0s1
MFCD32651825
S=C1N(C)C(=O)C(C(=O)N1C)(CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccc2c3c1cccc3CC2
ZINC000070671675

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Available files

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