Vitas-M small molecule compound
2-{3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL403634
SMILES COc1ccc(cc1Cn1ncc(c1)Br)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C21H19BrN4O2S MW 471.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O2S/c1-28-16-7-6-12(8-13(16)10-26-11-14(22)9-23-26)19-24-20(27)18-15-4-2-3-5-17(15)29-21(18)25-19/h6-9,11H,2-5,10H2,1H3,(H,24,25,27)InChIKey
AWIIIVCBIRHBAB-UHFFFAOYSA-NSynonyms
1005707-47-01005707470
2(3((4bromo1Hpyrazol1yl)methyl)4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3((4bromopyrazol1yl)methyl)4methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
COC1=C(C=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)CN5C=C(C=N5)Br
COc1ccc(cc1Cn1ncc(c1)Br)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC21H19BrN4O2Sc128167612(813(16)10261114(22)92326)192420(27)1815423517(15)2921(18)2519h6911H2510H21H3(H242527)
MFCD06195966
ZINC000022707407
ZINC22707407
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