Vitas-M small molecule compound

2-(butylsulfanyl)-3-(2-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

Catalog ID
STK835215
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1OC)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 C28H32N2O2S MW 460.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O2S/c1-3-4-18-33-27-29-25-21-13-7-6-12-20(21)19-28(16-10-5-11-17-28)24(25)26(31)30(27)22-14-8-9-15-23(22)32-2/h6-9,12-15H,3-5,10-11,16-19H2,1-2H3
InChIKey
VEUPMWCTCSUEEB-UHFFFAOYSA-N
Synonyms

2(butylsulfanyl)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(butylthio)3(2methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BUTYLSULFANYL3(2METHOXYPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2O2Sc13418332729252113761220(21)1928(16105111728)24(25)26(31)30(27)2214891523(22)322h691215H3510111619H212H3
MFCD01993007
ZINC000002292836
ZINC02292836
ZINC2292836

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Available files

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