Vitas-M small molecule compound
2-[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N,N-dibutylacetamide
Catalog ID
STK551074
SMILES CCCCN(C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)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 C34H43N3O2S MW 557.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43N3O2S/c1-3-5-21-36(22-6-4-2)29(38)25-40-33-35-31-28-18-12-11-17-27(28)23-34(19-13-8-14-20-34)30(31)32(39)37(33)24-26-15-9-7-10-16-26/h7,9-12,15-18H,3-6,8,13-14,19-25H2,1-2H3InChIKey
NTXYDBOYRNOODC-UHFFFAOYSA-NSynonyms
2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)NNdibutylacetamide
2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)NNdibutylacetamide
2(3BENZYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNNDIBUTYLACETAMIDE
CCCCN(CCCC)C(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC34H43N3O2Sc1352136(22642)29(38)2540333531281812111727(28)2334(19138142034)30(31)32(39)37(33)24261597101626h79121518H36813141925H212H3
MFCD03681751
ZINC000102457851
ZINC102457851
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