Vitas-M small molecule compound
3-(3-methylphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835183
SMILES CC(=C)CSc1nc2c3ccccc3CC3(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 C28H30N2OS MW 442.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2OS/c1-19(2)18-32-27-29-25-23-13-6-5-11-21(23)17-28(14-7-4-8-15-28)24(25)26(31)30(27)22-12-9-10-20(3)16-22/h5-6,9-13,16H,1,4,7-8,14-15,17-18H2,2-3H3InChIKey
YEIHTDXYIZTGEG-UHFFFAOYSA-NSynonyms
2((2methylallyl)thio)3(mtolyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3methylphenyl)2((2methylprop2en1yl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3METHYLPHENYL)2(2METHYLPROP2ENYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=C)C
InChI=1SC28H30N2OSc119(2)18322729252313651121(23)1728(147481528)24(25)26(31)30(27)221291020(3)1622h5691316H147814151718H223H3
MFCD01993025
ZINC000002292079
ZINC02292079
ZINC2292079
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