Vitas-M small molecule compound
8-bromo-7-{2-[11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK080857
SMILES COc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)Cn1c(Br)nc4c1c(=O)n(C)c(=O)n4C)cccc3)CC(CC2=O)(C)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 C31H31BrN6O5 MW 647.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrN6O5/c1-31(2)14-20-24(22(39)15-31)25(17-10-12-18(43-5)13-11-17)38(21-9-7-6-8-19(21)33-20)23(40)16-37-26-27(34-29(37)32)35(3)30(42)36(4)28(26)41/h6-13,25,33H,14-16H2,1-5H3InChIKey
HMHHPYNLUQZQQB-UHFFFAOYSA-NSynonyms
8bromo7(2(11(4methoxyphenyl)33dimethyl1oxo1234511hexahydro10Hdibenzo(be)(14)diazepin10yl)2oxoethyl)13dimethyl37dihydro1Hpurine26dione
8bromo7(2(11(4methoxyphenyl)33dimethyl1oxo34dihydro1Hdibenzo(be)(14)diazepin10(2H5H11H)yl)2oxoethyl)13dimethyl1Hpurine26(3H7H)dione
8bromo7(2(6(4methoxyphenyl)99dimethyl7oxo681011tetrahydrobenzo(b)(14)benzodiazepin5yl)2oxoethyl)13dimethylpurine26dione
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CN4C5=C(N=C4Br)N(C(=O)N(C5=O)C)C)C6=CC=C(C=C6)OC)C(=O)C1)C
COc1ccc(cc1)C1C2=C(Nc3c(N1C(=O)Cn1c(Br)nc4c1c(=O)n(C)c(=O)n4C)cccc3)CC(CC2=O)(C)C
InChI=1SC31H31BrN6O5c131(2)142024(22(39)1531)25(17101218(435)131117)38(21976819(21)3320)23(40)16372627(3429(37)32)35(3)30(42)36(4)28(26)41h6132533H1416H215H3
MFCD03032650
STK080857
ZINC000098022987
ZINC000098022988
Check stock
See real-time availability and sample size for STK080857 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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