Vitas-M small molecule compound
2-{[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STK544069
SMILES O=C(Nc1cccc(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 C31H31N3O3S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3S/c1-21-9-7-11-23(17-21)32-26(35)20-38-30-33-28-25-13-4-3-10-22(25)18-31(14-5-2-6-15-31)27(28)29(36)34(30)19-24-12-8-16-37-24/h3-4,7-13,16-17H,2,5-6,14-15,18-20H2,1H3,(H,32,35)InChIKey
RDHKYBNNUCWQAF-UHFFFAOYSA-NSynonyms
488804-26-82((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(3methylphenyl)acetamide
2((3(furan2ylmethyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)N(mtolyl)acetamide
2(3(FURAN2YLMETHYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLN(3METHYLPHENYL)ACETAMIDE
488804268
CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC31H31N3O3Sc121971123(1721)3226(35)20383033282513431022(25)1831(145261531)27(28)29(36)34(30)1924128163724h347131617H25614151820H21H3(H3235)
MFCD03293262
ZINC000001820469
ZINC01820469
ZINC1820469
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