Vitas-M small molecule compound

methyl 4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylate

Catalog ID
STK665860
SMILES COC(=O)c1ccc2c(c1)nc(n(c2=O)c1ccccc1)S

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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 C16H12N2O3S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O3S/c1-21-15(20)10-7-8-12-13(9-10)17-16(22)18(14(12)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,22)
InChIKey
QSMGBQNWQGFRSE-UHFFFAOYSA-N
Synonyms
514857-29-5
4KETO3PHENYL2THIOXO1HQUINAZOLINE7CARBOXYLICACIDMETHYLESTER
4OXO3PHENYL2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLICACIDMETHYLESTER
514857295
COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=C3
InChI=1SC16H12N2O3Sc12115(20)10781213(910)1716(22)18(14(12)19)115324611h29H1H3(H1722)
METHYL2MERCAPTO4OXO3PHENYL34DIHYDROQUINAZOLINE7CARBOXYLATE
METHYL4OXIDANYLIDENE3PHENYL2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
methyl4oxo3phenyl2sulfanyl34dihydroquinazoline7carboxylate
METHYL4OXO3PHENYL2SULFANYL3HYDROQUINAZOLINE7CARBOXYLATE
METHYL4OXO3PHENYL2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLATE
MFCD04036124
ZINC000005894181
ZINC5894181

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Available files

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