Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK531046
SMILES CCCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)OC)CCCCC3
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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 C29H34N2O2S MW 474.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O2S/c1-3-4-10-19-34-28-30-26-24-12-7-6-11-21(24)20-29(17-8-5-9-18-29)25(26)27(32)31(28)22-13-15-23(33-2)16-14-22/h6-7,11-16H,3-5,8-10,17-20H2,1-2H3InChIKey
WMSGMYGKBKGNJE-UHFFFAOYSA-NSynonyms
3(4methoxyphenyl)2(pentylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4methoxyphenyl)2(pentylthio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4METHOXYPHENYL)2PENTYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC29H34N2O2Sc1341019342830262412761121(24)2029(178591829)25(26)27(32)31(28)22131523(332)161422h671116H358101720H212H3
MFCD01992967
ZINC000002299319
ZINC02299319
ZINC2299319
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