Vitas-M small molecule compound
2-[(3-methylbutyl)sulfanyl]-3-(2-methylphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Catalog ID
STK836217
SMILES CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1C)CCCC3)C
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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/c1-19(2)14-17-32-27-29-25-22-12-6-5-11-21(22)18-28(15-8-9-16-28)24(25)26(31)30(27)23-13-7-4-10-20(23)3/h4-7,10-13,19H,8-9,14-18H2,1-3H3InChIKey
NBDJCMSPPMZPRT-UHFFFAOYSA-NSynonyms
2((3methylbutyl)sulfanyl)3(2methylphenyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
2(3METHYLBUTYLSULFANYL)3(2METHYLPHENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOPENTANE)4ONE
2(isopentylthio)3(otolyl)3Hspiro(benzo(h)quinazoline51cyclopentan)4(6H)one
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCCC(C)C
InChI=1SC28H32N2OSc119(2)1417322729252212651121(22)1828(15891628)24(25)26(31)30(27)2313741020(23)3h47101319H891418H213H3
MFCD02763673
ZINC000001832427
ZINC01832427
ZINC1832427
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