Vitas-M small molecule compound
3-(4-methoxybenzyl)-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK085475
SMILES COc1ccc(cc1)Cn1c(=S)[nH]c2c(c1=O)C1(CCCC1)Cc1c2cccc1
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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 C24H24N2O2S MW 404.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O2S/c1-28-18-10-8-16(9-11-18)15-26-22(27)20-21(25-23(26)29)19-7-3-2-6-17(19)14-24(20)12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,25,29)InChIKey
RNVFFFOLSZJBRZ-UHFFFAOYSA-NSynonyms
3((4METHOXYPHENYL)METHYL)2SULFANYLIDENESPIRO(16DIHYDROBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
3(4METHOXYBENZYL)2THIOXO23DIHYDRO1HSPIRO(BENZO(H)QUINAZOLINE51CYCLOPENTAN)4(6H)ONE
COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)NC2=S
COc1ccc(cc1)Cn1c(=S)(nH)c2c(c1=O)C1(CCCC1)Cc1c2cccc1
InChI=1SC24H24N2O2Sc1281810816(91118)152622(27)2021(2523(26)29)19732617(19)1424(20)12451324h23611H451215H21H3(H2529)
MFCD01557238
STK085475
ZINC000004663842
ZINC04663842
ZINC4663842
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