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-bromobenzoate
Catalog ID
STK384498
SMILES CCOc1cc(ccc1OC(=O)c1ccc(cc1)Br)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 C27H28BrN3O4S MW 570.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrN3O4S/c1-4-34-21-13-17(7-10-20(21)35-27(33)16-5-8-18(28)9-6-16)24-29-25(32)23-19-11-12-31(15(2)3)14-22(19)36-26(23)30-24/h5-10,13,15,24,30H,4,11-12,14H2,1-3H3,(H,29,32)InChIKey
AJUYWEKSDZUJOC-UHFFFAOYSA-NSynonyms
(2ethoxy4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4bromobenzoate
2ethoxy4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)phenyl4bromobenzoate
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)Br
InChI=1SC27H28BrN3O4Sc1434211317(71020(21)3527(33)165818(28)9616)242925(32)2319111231(15(2)3)1422(19)3626(23)3024h51013152430H4111214H213H3(H2932)
MFCD04042171
ZINC000102098272
ZINC000102098274
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