Vitas-M small molecule compound

methyl 3-cyclopentyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

Catalog ID
STK207525
SMILES COC(=O)c1ccc2c(c1)[nH]c(=S)n(c2=O)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 C15H16N2O3S MW 304.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3S/c1-20-14(19)9-6-7-11-12(8-9)16-15(21)17(13(11)18)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,16,21)
InChIKey
FCKUXWQPGFDVIU-UHFFFAOYSA-N
Synonyms
443353-12-6
443353126
COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3CCCC3
COC(=O)c1ccc2c(c1)(nH)c(=S)n(c2=O)C1CCCC1
InChI=1SC15H16N2O3Sc12014(19)9671112(89)1615(21)17(13(11)18)10423510h6810H25H21H3(H1621)
METHYL3CYCLOPENTYL4OXO2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
methyl3cyclopentyl4oxo2thioxo1234tetrahydroquinazoline7carboxylate
METHYL3CYCLOPENTYL4OXO2THIOXO13DIHYDROQUINAZOLINE7CARBOXYLATE
MFCD04421646
ZINC000000425020
ZINC00425020
ZINC425020

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.