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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}-2-thioxo-5-(3,4,5-trimethoxybenzyl)dihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL564915
SMILES COc1c(OC)cc(cc1OC)CC1(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C

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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 C28H34N4O6S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O6S/c1-29-25(34)28(26(35)30(2)27(29)39,12-17-10-21(36-3)24(38-5)22(11-17)37-4)16-31-13-18-9-19(15-31)20-7-6-8-23(33)32(20)14-18/h6-8,10-11,18-19H,9,12-16H2,1-5H3/t18-,19+/m0/s1
InChIKey
UPHXAJCLXFCSCV-RBUKOAKNSA-N
Synonyms

13dimethyl5(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)2thioxo5(345trimethoxybenzyl)dihydropyrimidine46(1H5H)dione
13dimethyl5(((1R9S)6oxo711diazatricyclo(731027)trideca24dien11yl)methyl)2sulfanylidene5((345trimethoxyphenyl)methyl)13diazinane46dione
13dimethyl5(((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)2thioxo5(345trimethoxybenzyl)dihydropyrimidine46(1H5H)dione
6353428
COc1c(OC)cc(cc1OC)CC1(CN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)C(=O)N(C)C(=S)N(C1=O)C
InChI=1SC28H34N4O6Sc12925(34)28(26(35)30(2)27(29)3912171021(363)24(385)22(1117)374)16311318919(1531)2076823(33)32(20)1418h6810111819H91216H215H3t1819+m0s1
MFCD32651604
ZINC000070670219

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Available files

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