Vitas-M small molecule compound
ethyl 4'-({[(3-benzyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetyl}amino)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxylate
Catalog ID
STK531307
SMILES CCOC(=O)C1=C(NC(=O)CSc2nc3c4ccccc4CC4(c3c(=O)n2Cc2ccccc2)CCCCC4)c2c(CC31CCCCC3)cccc2
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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 C44H47N3O4S MW 713.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H47N3O4S/c1-2-51-41(50)37-39(34-21-11-9-19-32(34)27-44(37)24-14-5-15-25-44)45-35(48)29-52-42-46-38-33-20-10-8-18-31(33)26-43(22-12-4-13-23-43)36(38)40(49)47(42)28-30-16-6-3-7-17-30/h3,6-11,16-21H,2,4-5,12-15,22-29H2,1H3,(H,45,48)InChIKey
FXTNBBLMPTYSMQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C2=CC=CC=C2CC13CCCCC3)NC(=O)CSC4=NC5=C(C(=O)N4CC6=CC=CC=C6)C7(CCCCC7)CC8=CC=CC=C85
ETHYL1((2(3BENZYL4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLACETYL)AMINO)SPIRO(4HNAPHTHALENE31CYCLOHEXANE)2CARBOXYLATE
ethyl4((((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)acetyl)amino)1Hspiro(cyclohexane12naphthalene)3carboxylate
ethyl4(2((3benzyl4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)acetamido)1Hspiro(cyclohexane12naphthalene)3carboxylate
InChI=1SC44H47N3O4Sc125141(50)3739(34211191932(34)2744(37)24145152544)4535(48)295242463833201081831(33)2643(22124132343)36(38)40(49)47(42)2830166371730h36111621H24512152229H21H3(H4548)
MFCD02994720
ZINC000150411407
ZINC150411407
Check stock
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Check stock on Vitas-MAvailable files
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