Vitas-M small molecule compound
2-(benzylsulfanyl)-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835363
SMILES COc1ccccc1n1c(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 C31H30N2O2S MW 494.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O2S/c1-35-26-17-9-8-16-25(26)33-29(34)27-28(32-30(33)36-21-22-12-4-2-5-13-22)24-15-7-6-14-23(24)20-31(27)18-10-3-11-19-31/h2,4-9,12-17H,3,10-11,18-21H2,1H3InChIKey
SYYLXGUDPZHKMU-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(benzylthio)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3(2METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=CC=C6
InChI=1SC31H30N2O2Sc1352617981625(26)3329(34)2728(3230(33)362122124251322)2415761423(24)2031(27)18103111931h2491217H310111821H21H3
MFCD01993042
ZINC000002296094
ZINC02296094
ZINC2296094
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