Vitas-M small molecule compound

2-{[3-(3-methylphenyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide

Catalog ID
STK542300
SMILES O=C(CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3)NCCc1ccccc1

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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 C34H35N3O2S MW 549.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N3O2S/c1-24-11-10-15-27(21-24)37-32(39)30-31(28-16-7-6-14-26(28)22-34(30)18-8-3-9-19-34)36-33(37)40-23-29(38)35-20-17-25-12-4-2-5-13-25/h2,4-7,10-16,21H,3,8-9,17-20,22-23H2,1H3,(H,35,38)
InChIKey
MQNJNFPNFATPTR-UHFFFAOYSA-N
Synonyms
489396-32-9
2((3(3methylphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)N(2phenylethyl)acetamide
2((4oxo3(mtolyl)46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)Nphenethylacetamide
2(3(3methylphenyl)4oxospiro(6Hbenzo(h)quinazoline51cyclohexane)2yl)sulfanylN(2phenylethyl)acetamide
2(3(3METHYLPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNPHENETHYLACETAMIDE
489396329
CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)NCCC6=CC=CC=C6
InChI=1SC34H35N3O2Sc12411101527(2124)3732(39)3031(2816761426(28)2234(30)188391934)3633(37)402329(38)35201725124251325h247101621H38917202223H21H3(H3538)
MFCD03295446
ZINC000001806055
ZINC01806055
ZINC1806055

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.