Vitas-M small molecule compound
3-(7-benzyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-nitrobenzoate
Catalog ID
STK384744
SMILES OC1=NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1cccc(c1)OC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C29H24N4O5S MW 540.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O5S/c34-27-25-23-13-14-32(16-18-5-2-1-3-6-18)17-24(23)39-28(25)31-26(30-27)20-7-4-8-22(15-20)38-29(35)19-9-11-21(12-10-19)33(36)37/h1-12,15,26,31H,13-14,16-17H2,(H,30,34)InChIKey
MIBFGIZWMZQJRU-UHFFFAOYSA-NSynonyms
(3(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4nitrobenzoate
3(7benzyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4nitrobenzoate
C1CN(CC2=C1C3=C(S2)NC(NC3=O)C4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)(N+)(=O)(O))CC6=CC=CC=C6
InChI=1SC29H24N4O5Sc34272523131432(16185213618)1724(23)3928(25)3126(3027)2074822(1520)3829(35)1991121(121019)33(36)37h112152631H13141617H2(H3034)
MFCD05661702
OC1=NC(Nc2c1c1CCN(Cc1s2)Cc1ccccc1)c1cccc(c1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000102100805
ZINC000102100809
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