Vitas-M small molecule compound

12-oxo-N-(thiophen-2-ylmethyl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide

Catalog ID
STK858412
SMILES O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)NCc1cccs1

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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 C19H19N3O2S MW 353.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O2S/c23-18(20-12-14-5-4-10-25-14)13-7-8-15-16(11-13)21-17-6-2-1-3-9-22(17)19(15)24/h4-5,7-8,10-11H,1-3,6,9,12H2,(H,20,23)
InChIKey
AHHJOLFAXGPVQQ-UHFFFAOYSA-N
Synonyms
848178-05-2
12oxoN(thiophen2ylmethyl)67891012hexahydroazepino(21b)quinazoline3carboxamide
12oxoN(thiophen2ylmethyl)78910tetrahydro6Hazepino(21b)quinazoline3carboxamide
848178052
C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)C(=O)N2CC1
InChI=1SC19H19N3O2Sc2318(20121454102514)13781516(1113)21176213922(17)19(15)24h45781011H136912H2(H2023)
MFCD07316085
ZINC000006751941
ZINC06751941
ZINC6751941

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.