Vitas-M small molecule compound
2-[(2,4-dimethylbenzyl)sulfanyl]-3-(furan-2-ylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK531612
SMILES Cc1ccc(c(c1)C)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)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 C31H32N2O2S MW 496.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O2S/c1-21-12-13-24(22(2)17-21)20-36-30-32-28-26-11-5-4-9-23(26)18-31(14-6-3-7-15-31)27(28)29(34)33(30)19-25-10-8-16-35-25/h4-5,8-13,16-17H,3,6-7,14-15,18-20H2,1-2H3InChIKey
PXCHMTHYKGSUHP-UHFFFAOYSA-NSynonyms
2((24dimethylbenzyl)sulfanyl)3(furan2ylmethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24dimethylbenzyl)thio)3(furan2ylmethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2((24DIMETHYLPHENYL)METHYLSULFANYL)3(FURAN2YLMETHYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)C5(CCCCC5)CC6=CC=CC=C63)C
InChI=1SC31H32N2O2Sc121121324(22(2)1721)2036303228261154923(26)1831(146371531)27(28)29(34)33(30)1925108163525h458131617H36714151820H212H3
MFCD02234636
ZINC000001825283
ZINC01825283
ZINC1825283
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