Vitas-M small molecule compound
tert-butyl 4-(4-amino-5-{[4-(propan-2-yl)phenyl]sulfonyl}pyrimidin-2-yl)-1,4-diazepane-1-carboxylate
Catalog ID
STL167406
SMILES CC(c1ccc(cc1)S(=O)(=O)c1cnc(nc1N)N1CCCN(CC1)C(=O)OC(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 C23H33N5O4S MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N5O4S/c1-16(2)17-7-9-18(10-8-17)33(30,31)19-15-25-21(26-20(19)24)27-11-6-12-28(14-13-27)22(29)32-23(3,4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H2,24,25,26)InChIKey
MJVRUUVVFDZOMB-UHFFFAOYSA-NSynonyms
CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2N)N3CCCN(CC3)C(=O)OC(C)(C)C
InChI=1SC23H33N5O4Sc116(2)177918(10817)33(3031)19152521(2620(19)24)271161228(141327)22(29)3223(34)5h7101516H61114H215H3(H2242526)
MFCD20751672
tertbutyl4(4amino5((4(propan2yl)phenyl)sulfonyl)pyrimidin2yl)14diazepane1carboxylate
tertbutyl4(4amino5(4propan2ylphenyl)sulfonylpyrimidin2yl)14diazepane1carboxylate
ZINC000071771708
ZINC71771708
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