Vitas-M small molecule compound

N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(3-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

Catalog ID
STK655482
SMILES COc1cccc(c1)n1cnc2c(c1=O)ccc(c2)C(=O)NC1CCS(=O)(=O)C1

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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 C20H19N3O5S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S/c1-28-16-4-2-3-15(10-16)23-12-21-18-9-13(5-6-17(18)20(23)25)19(24)22-14-7-8-29(26,27)11-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,22,24)
InChIKey
NJGZMZWRCOGEGS-UHFFFAOYSA-N
Synonyms
1144437-54-6
1144437546
COC1=CC=CC(=C1)N2C=NC3=C(C2=O)C=CC(=C3)C(=O)NC4CCS(=O)(=O)C4
InChI=1SC20H19N3O5Sc1281642315(1016)23122118913(5617(18)20(23)25)19(24)22147829(2627)1114h269101214H7811H21H3(H2224)
MFCD12211444
N(11dioxidotetrahydrothiophen3yl)3(3methoxyphenyl)4oxo34dihydroquinazoline7carboxamide
N(11dioxothiolan3yl)3(3methoxyphenyl)4oxoquinazoline7carboxamide
ZINC000032072111
ZINC000032072113

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Available files

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