Vitas-M small molecule compound
2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STK539406
SMILES O=C(Nc1ccccc1)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)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 C29H31N3O2S MW 485.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S/c1-20(2)18-32-27(34)25-26(31-28(32)35-19-24(33)30-22-12-5-3-6-13-22)23-14-8-7-11-21(23)17-29(25)15-9-4-10-16-29/h3,5-8,11-14H,1,4,9-10,15-19H2,2H3,(H,30,33)InChIKey
DYYBMYGWJIFGQZ-UHFFFAOYSA-NSynonyms
385391-29-72((3(2methylallyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)Nphenylacetamide
2((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)Nphenylacetamide
2(3(2METHYLPROP2ENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLNPHENYLACETAMIDE
385391297
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=CC=C5
InChI=1SC29H31N3O2Sc120(2)183227(34)2526(3128(32)351924(33)3022125361322)2314871121(23)1729(25)1594101629h3581114H149101519H22H3(H3033)
MFCD03285723
ZINC000001826521
ZINC01826521
ZINC1826521
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