Vitas-M small molecule compound

4-(4-fluorophenyl)-8-methoxy-3,4,5,6-tetrahydrobenzo[h]quinazoline-2-thiol

Catalog ID
STK658180
SMILES COc1ccc2c(c1)CCC1=C2N=C(S)NC1c1ccc(cc1)F

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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 C19H17FN2OS MW 340.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17FN2OS/c1-23-14-7-9-15-12(10-14)4-8-16-17(21-19(24)22-18(15)16)11-2-5-13(20)6-3-11/h2-3,5-7,9-10,17H,4,8H2,1H3,(H2,21,22,24)
InChIKey
PUKPSVVFUXDPDW-UHFFFAOYSA-N
Synonyms
313968-34-2
313968342
4(4fluorophenyl)8methoxy3456tetrahydro1Hbenzo(h)quinazoline2thione
4(4fluorophenyl)8methoxy3456tetrahydrobenzo(h)quinazoline2thiol
COC1=CC2=C(C=C1)C3=C(CC2)C(NC(=S)N3)C4=CC=C(C=C4)F
InChI=1SC19H17FN2OSc12314791512(1014)481617(2119(24)2218(15)16)112513(20)6311h235791017H48H21H3(H2212224)
MFCD03809140
ZINC000000195206
ZINC000000195207

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Available files

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