Vitas-M small molecule compound

methyl 4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

Catalog ID
STK207442
SMILES COC(=O)c1ccc2c(c1)[nH]c(=S)n(c2=O)CC1CCCO1

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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 C15H16N2O4S MW 320.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O4S/c1-20-14(19)9-4-5-11-12(7-9)16-15(22)17(13(11)18)8-10-3-2-6-21-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,16,22)
InChIKey
FRXVSOQFDPMKKM-UHFFFAOYSA-N
Synonyms
422526-41-8
422526418
4KETO3(TETRAHYDROFURFURYL)2THIOXO1HQUINAZOLINE7CARBOXYLICACIDMETHYLESTER
4OXO3(2OXOLANYLMETHYL)2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLICACIDMETHYLESTER
COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3
COC(=O)c1ccc2c(c1)(nH)c(=S)n(c2=O)CC1CCCO1
InChI=1SC15H16N2O4Sc12014(19)9451112(79)1615(22)17(13(11)18)8103262110h45710H2368H21H3(H1622)
METHYL2MERCAPTO4OXO3(TETRAHYDROFURAN2YLMETHYL)34DIHYDROQUINAZOLINE7CARBOXYLATE
METHYL4OXIDANYLIDENE3(OXOLAN2YLMETHYL)2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
METHYL4OXO3(OXOLAN2YLMETHYL)2SULFANYL34DIHYDROQUINAZOLINE7CARBOXYLATE
METHYL4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
METHYL4OXO3(OXOLAN2YLMETHYL)2THIOXO13DIHYDROQUINAZOLINE7CARBOXYLATE
methyl4oxo3(tetrahydrofuran2ylmethyl)2thioxo1234tetrahydroquinazoline7carboxylate
MFCD06136624
ZINC000003399141
ZINC000003399144

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Available files

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