Vitas-M small molecule compound
tert-butyl 4-{4-amino-5-[(5-chloro-2-methoxyphenyl)sulfonyl]pyrimidin-2-yl}-1,4-diazepane-1-carboxylate
Catalog ID
STL167514
SMILES COc1ccc(cc1S(=O)(=O)c1cnc(nc1N)N1CCCN(CC1)C(=O)OC(C)(C)C)Cl
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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 C21H28ClN5O5S MW 498.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28ClN5O5S/c1-21(2,3)32-20(28)27-9-5-8-26(10-11-27)19-24-13-17(18(23)25-19)33(29,30)16-12-14(22)6-7-15(16)31-4/h6-7,12-13H,5,8-11H2,1-4H3,(H2,23,24,25)InChIKey
HBXNAZYTLZUEMZ-UHFFFAOYSA-NSynonyms
CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC=C(C(=N2)N)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC
InChI=1SC21H28ClN5O5Sc121(23)3220(28)2795826(101127)19241317(18(23)2519)33(2930)161214(22)6715(16)314h671213H5811H214H3(H2232425)
MFCD20751854
tertbutyl4(4amino5((5chloro2methoxyphenyl)sulfonyl)pyrimidin2yl)14diazepane1carboxylate
tertbutyl4(4amino5(5chloro2methoxyphenyl)sulfonylpyrimidin2yl)14diazepane1carboxylate
ZINC000071771984
ZINC71771984
Check stock
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