Vitas-M small molecule compound
3-(4-methylbenzyl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK698951
SMILES CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccc(cc1)C)CCCCC3)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 C30H36N2OS MW 472.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2OS/c1-21(2)15-18-34-29-31-27-25-10-6-5-9-24(25)19-30(16-7-4-8-17-30)26(27)28(33)32(29)20-23-13-11-22(3)12-14-23/h5-6,9-14,21H,4,7-8,15-20H2,1-3H3InChIKey
KHPFWVRUIOQTJR-UHFFFAOYSA-NSynonyms
371942-34-62(3METHYLBUTYLSULFANYL)3((4METHYLPHENYL)METHYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2(isopentylthio)3(4methylbenzyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(4methylbenzyl)2((3methylbutyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
371942346
CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC(C)C
InChI=1SC30H36N2OSc121(2)151834293127251065924(25)1930(167481730)26(27)28(33)32(29)2023131122(3)121423h5691421H4781520H213H3
MFCD01807178
ZINC000002268422
ZINC02268422
ZINC2268422
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