Vitas-M small molecule compound
methyl 3-[(5-cyclopentyl-4-oxo-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)sulfanyl]propanoate
Catalog ID
STK530418
SMILES COC(=O)CCSc1nc2c3ccccc3CC(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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c1-26-17(24)10-11-27-21-22-19-15-9-5-4-8-14(15)12-16(13-6-2-3-7-13)18(19)20(25)23-21/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,22,23,25)InChIKey
PEGLGYPOVDLDQQ-UHFFFAOYSA-NSynonyms
COC(=O)CCSC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC2C4CCCC4
COC(=O)CCSc1nc2c3ccccc3CC(c2c(=O)(nH)1)C1CCCC1
InChI=1SC21H24N2O3Sc12617(24)10112721221915954814(15)1216(13623713)18(19)20(25)2321h45891316H23671012H21H3(H222325)
methyl3((5cyclopentyl4oxo3456tetrahydrobenzo(h)quinazolin2yl)sulfanyl)propanoate
methyl3((5cyclopentyl4oxo3456tetrahydrobenzo(h)quinazolin2yl)thio)propanoate
METHYL3((5CYCLOPENTYL4OXO56DIHYDRO1HBENZO(H)QUINAZOLIN2YL)SULFANYL)PROPANOATE
MFCD02236621
ZINC000008769132
ZINC000008769134
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