Vitas-M small molecule compound
2-(benzylsulfanyl)-3-(4-methoxybenzyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK741132
SMILES COc1ccc(cc1)Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)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 C32H32N2O2S MW 508.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O2S/c1-36-26-16-14-23(15-17-26)21-34-30(35)28-29(33-31(34)37-22-24-10-4-2-5-11-24)27-13-7-6-12-25(27)20-32(28)18-8-3-9-19-32/h2,4-7,10-17H,3,8-9,18-22H2,1H3InChIKey
FSMKPWBIHXDMDR-UHFFFAOYSA-NSynonyms
337495-56-42(benzylsulfanyl)3(4methoxybenzyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(benzylthio)3(4methoxybenzyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3((4METHOXYPHENYL)METHYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3((4METHOXYPHENYL)METHYL)2(PHENYLMETHYLTHIO)SPIRO(356TRIHYDROBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
337495564
COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=CC=C6
InChI=1SC32H32N2O2Sc13626161423(151726)213430(35)2829(3331(34)372224104251124)2713761225(27)2032(28)188391932h2471017H3891822H21H3
MFCD01559082
ZINC000002254673
ZINC02254673
ZINC2254673
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