Vitas-M small molecule compound
2-bromo-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]-6-methoxyphenyl 4-methylbenzoate
Catalog ID
STK384372
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1)C)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/c1-14(2)31-10-9-18-21(13-31)36-26-22(18)25(32)29-24(30-26)17-11-19(28)23(20(12-17)34-4)35-27(33)16-7-5-15(3)6-8-16/h5-8,11-12,14,24,30H,9-10,13H2,1-4H3,(H,29,32)InChIKey
CWEQXWDDVVQEDH-UHFFFAOYSA-NSynonyms
(2bromo6methoxy4(4oxo7propan2yl123568hexahydropyrido(23)thieno(24d)pyrimidin2yl)phenyl)4methylbenzoate
2bromo4(4hydroxy7(propan2yl)125678hexahydropyrido(4345)thieno(23d)pyrimidin2yl)6methoxyphenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C3NC4=C(C5=C(S4)CN(CC5)C(C)C)C(=O)N3)OC
InChI=1SC27H28BrN3O4Sc114(2)311091821(1331)362622(18)25(32)2924(3026)171119(28)23(20(1217)344)3527(33)167515(3)6816h581112142430H91013H214H3(H2932)
MFCD04041556
ZINC000102096406
ZINC000102096410
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