Vitas-M small molecule compound
2-(butylsulfanyl)-3-(3-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK530457
SMILES CCCCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)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 C28H32N2OS MW 444.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2OS/c1-3-4-17-32-27-29-25-23-14-7-6-12-21(23)19-28(15-8-5-9-16-28)24(25)26(31)30(27)22-13-10-11-20(2)18-22/h6-7,10-14,18H,3-5,8-9,15-17,19H2,1-2H3InChIKey
COWRHCITWFKULA-UHFFFAOYSA-NSynonyms
2(butylsulfanyl)3(3methylphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(butylthio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2BUTYLSULFANYL3(3METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CCCCSC1=NC2=C(C(=O)N1C3=CC=CC(=C3)C)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H32N2OSc13417322729252314761221(23)1928(158591628)24(25)26(31)30(27)2213101120(2)1822h67101418H3589151719H212H3
MFCD01993020
ZINC000002295413
ZINC02295413
ZINC2295413
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