Vitas-M small molecule compound

5-cyclohexyl-2-sulfanyl-5,6-dihydrobenzo[h]quinazolin-4(3H)-one

Catalog ID
STK524062
SMILES Sc1nc2c3ccccc3CC(c2c(=O)[nH]1)C1CCCCC1

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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 C18H20N2OS MW 312.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2OS/c21-17-15-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)16(15)19-18(22)20-17/h4-5,8-9,11,14H,1-3,6-7,10H2,(H2,19,20,21,22)
InChIKey
XLXBITNIOOSXGN-UHFFFAOYSA-N
Synonyms

5cyclohexyl2sulfanyl56dihydrobenzo(h)quinazolin4(3H)one
5CYCLOHEXYL2SULFANYLIDENE56DIHYDRO1HBENZO(H)QUINAZOLIN4ONE
C1CCC(CC1)C2CC3=CC=CC=C3C4=C2C(=O)NC(=S)N4
InChI=1SC18H20N2OSc21171514(116213711)1012845913(12)16(15)1918(22)2017h45891114H136710H2(H219202122)
MFCD01872916
Sc1nc2c3ccccc3CC(c2c(=O)(nH)1)C1CCCCC1
ZINC000005687450
ZINC000017835699

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Available files

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