Vitas-M small molecule compound

12-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide

Catalog ID
STL178853
SMILES O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

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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 C24H22N6O4S MW 490.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N6O4S/c31-22(16-6-11-19-20(15-16)28-21-5-2-1-3-14-30(21)23(19)32)27-17-7-9-18(10-8-17)35(33,34)29-24-25-12-4-13-26-24/h4,6-13,15H,1-3,5,14H2,(H,27,31)(H,25,26,29)
InChIKey
JCHLMGVZNSAYAL-UHFFFAOYSA-N
Synonyms
849120-45-2
12oxoN(4(pyrimidin2ylsulfamoyl)phenyl)67891012hexahydroazepino(21b)quinazoline3carboxamide
12oxoN(4(pyrimidin2ylsulfamoyl)phenyl)78910tetrahydro6Hazepino(21b)quinazoline3carboxamide
849120452
C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C(=O)N2CC1
InChI=1SC24H22N6O4Sc3122(166111920(1516)282152131430(21)23(19)32)27177918(10817)35(3334)292425124132624h461315H13514H2(H2731)(H252629)
MFCD07327997
ZINC000009285202
ZINC09285202
ZINC9285202

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Available files

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