Vitas-M small molecule compound
2-ethoxy-4-[4-hydroxy-7-(propan-2-yl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]phenyl 4-methylbenzoate
Catalog ID
STK384395
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)C)C1N=C(O)c2c(N1)sc1c2CCN(C1)C(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 C28H31N3O4S MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4S/c1-5-34-22-14-19(10-11-21(22)35-28(33)18-8-6-17(4)7-9-18)25-29-26(32)24-20-12-13-31(16(2)3)15-23(20)36-27(24)30-25/h6-11,14,16,25,30H,5,12-13,15H2,1-4H3,(H,29,32)InChIKey
KTCWACBAAIPOFX-UHFFFAOYSA-NSynonyms
(2ethoxy4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4methylbenzoate
2ethoxy4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4methylbenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)C(C)C)C(=O)N2)OC(=O)C5=CC=C(C=C5)C
InChI=1SC28H31N3O4Sc1534221419(101121(22)3528(33)188617(4)7918)252926(32)2420121331(16(2)3)1523(20)3627(24)3025h61114162530H5121315H214H3(H2932)
MFCD04041580
ZINC000015947040
ZINC000015947042
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