Vitas-M small molecule compound
methyl [(5-cyclohexyl-5-methyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate
Catalog ID
STK835243
SMILES COC(=O)CSc1nc2c3ccccc3CC(c2c(=O)[nH]1)(C)C1CCCCC1
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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 C22H26N2O3S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O3S/c1-22(15-9-4-3-5-10-15)12-14-8-6-7-11-16(14)19-18(22)20(26)24-21(23-19)28-13-17(25)27-2/h6-8,11,15H,3-5,9-10,12-13H2,1-2H3,(H,23,24,26)InChIKey
BYSUMBFCWPJNLW-UHFFFAOYSA-NSynonyms
CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC(=O)OC)C4CCCCC4
COC(=O)CSc1nc2c3ccccc3CC(c2c(=O)(nH)1)(C)C1CCCCC1
InChI=1SC22H26N2O3Sc122(1594351015)12148671116(14)1918(22)20(26)2421(2319)281317(25)272h681115H359101213H212H3(H232426)
methyl((5cyclohexyl5methyl4oxo3456tetrahydrobenzo(h)quinazolin2yl)sulfanyl)acetate
METHYL2((5CYCLOHEXYL5METHYL4OXO16DIHYDROBENZO(H)QUINAZOLIN2YL)SULFANYL)ACETATE
methyl2((5cyclohexyl5methyl4oxo3456tetrahydrobenzo(h)quinazolin2yl)thio)acetate
MFCD02235490
ZINC000002293934
ZINC000002293935
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