Vitas-M small molecule compound
methyl [(5-cyclopentyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]acetate
Catalog ID
STK530208
SMILES COC(=O)CSc1nc2c3ccccc3CC(c2c(=O)[nH]1)C1CCCC1
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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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-25-16(23)11-26-20-21-18-14-9-5-4-8-13(14)10-15(12-6-2-3-7-12)17(18)19(24)22-20/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,21,22,24)InChIKey
BEIWKUNASJZQJT-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4
COC(=O)CSc1nc2c3ccccc3CC(c2c(=O)(nH)1)C1CCCC1
COC(=O)CSc1nc2c3ccccc3CC(c2c(=O)(nH)1)C1CCCC1Cl
InChI=1SC20H22N2O3Sc12516(23)112620211814954813(14)1015(12623712)17(18)19(24)2220h45891215H23671011H21H3(H212224)
methyl((5cyclopentyl4oxo3456tetrahydrobenzo(h)quinazolin2yl)sulfanyl)acetate
methyl2((5cyclopentyl4oxo3456tetrahydrobenzo(h)quinazolin2yl)thio)acetatehydrochloride
METHYL2((5CYCLOPENTYL4OXO56DIHYDRO1HBENZO(H)QUINAZOLIN2YL)SULFANYL)ACETATE
MFCD02234900
ZINC000005625575
ZINC000005625576
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