Vitas-M small molecule compound
2-(benzylsulfanyl)-3-(3-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530649
SMILES COc1cccc(c1)n1c(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/c1-35-25-15-10-14-24(19-25)33-29(34)27-28(32-30(33)36-21-22-11-4-2-5-12-22)26-16-7-6-13-23(26)20-31(27)17-8-3-9-18-31/h2,4-7,10-16,19H,3,8-9,17-18,20-21H2,1H3InChIKey
BFHVJFSRSJRXCY-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(benzylthio)3(3methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BENZYLSULFANYL3(3METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=CC=CC=C6
InChI=1SC31H30N2O2Sc1352515101424(1925)3329(34)2728(3230(33)362122114251222)2616761323(26)2031(27)178391831h247101619H38917182021H21H3
MFCD02238502
ZINC000001822362
ZINC01822362
ZINC1822362
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