Vitas-M small molecule compound

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

Catalog ID
STK547083
SMILES CCCCn1c(SCC(=O)NCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

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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 C30H35N3O2S MW 501.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O2S/c1-2-3-18-33-28(35)26-27(24-15-9-8-14-23(24)19-30(26)16-10-5-11-17-30)32-29(33)36-21-25(34)31-20-22-12-6-4-7-13-22/h4,6-9,12-15H,2-3,5,10-11,16-21H2,1H3,(H,31,34)
InChIKey
WUZYZNVNDJVPTB-UHFFFAOYSA-N
Synonyms
500145-78-8
500145788
CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NCC5=CC=CC=C5
InChI=1SC30H35N3O2Sc123183328(35)2627(2415981423(24)1930(26)16105111730)3229(33)362125(34)312022126471322h4691215H23510111621H21H3(H3134)
MFCD03304512
Nbenzyl2((3butyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
Nbenzyl2((3butyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
NBENZYL2(3BUTYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000002358888
ZINC02358888
ZINC2358888

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Available files

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