Vitas-M small molecule compound
2-bromo-4-(7-tert-butyl-4-hydroxy-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-6-methoxyphenyl 4-methylbenzoate
Catalog ID
STK215808
SMILES COc1cc(cc(c1OC(=O)c1ccc(cc1)C)Br)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(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 C29H31BrN2O4S MW 583.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31BrN2O4S/c1-15-6-8-16(9-7-15)28(34)36-24-20(30)12-17(13-21(24)35-5)25-31-26(33)23-19-11-10-18(29(2,3)4)14-22(19)37-27(23)32-25/h6-9,12-13,18,25,32H,10-11,14H2,1-5H3,(H,31,33)InChIKey
WMYHCRGLBIXFCV-UHFFFAOYSA-NSynonyms
(2bromo4(7tertbutyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)6methoxyphenyl)4methylbenzoate
2bromo4(7tertbutyl4hydroxy125678hexahydro(1)benzothieno(23d)pyrimidin2yl)6methoxyphenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C3NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N3)OC
InChI=1SC29H31BrN2O4Sc1156816(9715)28(34)362420(30)1217(1321(24)355)253126(33)2319111018(29(23)4)1422(19)3727(23)3225h691213182532H101114H215H3(H3133)
MFCD07436920
ZINC000098043443
ZINC000098043446
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