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-ethoxyphenyl furan-2-carboxylate
Catalog ID
STK384750
SMILES CCOc1cc(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 C29H27N3O5S MW 529.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O5S/c1-2-35-23-15-19(10-11-21(23)37-29(34)22-9-6-14-36-22)26-30-27(33)25-20-12-13-32(16-18-7-4-3-5-8-18)17-24(20)38-28(25)31-26/h3-11,14-15,26,31H,2,12-13,16-17H2,1H3,(H,30,33)InChIKey
DRQPGZKWEHAVDY-UHFFFAOYSA-NSynonyms
(4(7benzyl4oxo123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)2ethoxyphenyl)furan2carboxylate
4(7benzyl4hydroxy125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)2ethoxyphenylfuran2carboxylate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)CC5=CC=CC=C5)C(=O)N2)OC(=O)C6=CC=CO6
InChI=1SC29H27N3O5Sc1235231519(101121(23)3729(34)2296143622)263027(33)2520121332(16187435818)1724(20)3828(25)3126h31114152631H212131617H21H3(H3033)
MFCD05661709
ZINC000102100861
ZINC000102100866
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