Vitas-M small molecule compound

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

Catalog ID
STK547663
SMILES CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3)CCCC

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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 C33H41N3O2S MW 543.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O2S/c1-3-5-21-35(22-6-4-2)28(37)24-39-32-34-30-27-18-12-11-15-25(27)23-33(19-13-8-14-20-33)29(30)31(38)36(32)26-16-9-7-10-17-26/h7,9-12,15-18H,3-6,8,13-14,19-24H2,1-2H3
InChIKey
BBENLHPUJBEMJR-UHFFFAOYSA-N
Synonyms
488087-25-8
488087258
CCCCN(CCCC)C(=O)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC33H41N3O2Sc1352135(22642)28(37)2439323430271812111525(27)2333(19138142033)29(30)31(38)36(32)261697101726h79121518H36813141924H212H3
MFCD03287704
NNdibutyl2((4oxo3phenyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetamide
NNdibutyl2((4oxo3phenyl46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamide
NNDIBUTYL2(4OXO3PHENYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETAMIDE
ZINC000002324927
ZINC2324927

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Available files

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