Vitas-M small molecule compound
4-(7-benzyl-4-hydroxy-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)-2-methoxyphenyl furan-2-carboxylate
Catalog ID
STK384749
SMILES COc1cc(ccc1OC(=O)c1ccco1)C1N=C(O)c2c(N1)sc1c2CCN(C1)Cc1ccccc1
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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 C28H25N3O5S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O5S/c1-34-22-14-18(9-10-20(22)36-28(33)21-8-5-13-35-21)25-29-26(32)24-19-11-12-31(15-17-6-3-2-4-7-17)16-23(19)37-27(24)30-25/h2-10,13-14,25,30H,11-12,15-16H2,1H3,(H,29,32)InChIKey
ZCAAOVOALVCQLN-UHFFFAOYSA-NSynonyms
(4(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)2methoxyphenyl)furan2carboxylate
4(7benzyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)2methoxyphenylfuran2carboxylate
COC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2)OC(=O)C6=CC=CO6
InChI=1SC28H25N3O5Sc134221418(91020(22)3628(33)2185133521)252926(32)2419111231(15176324717)1623(19)3727(24)3025h21013142530H11121516H21H3(H2932)
MFCD05661708
ZINC000015947342
ZINC000015947344
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