Vitas-M small molecule compound

2-{[(4-hydroxy-6,7-dimethoxyquinazolin-2-yl)methyl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone

Catalog ID
STK644240
SMILES COc1cc2nc(CSCC(=O)N3CCCC3)nc(c2cc1OC)O

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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 C17H21N3O4S MW 363.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O4S/c1-23-13-7-11-12(8-14(13)24-2)18-15(19-17(11)22)9-25-10-16(21)20-5-3-4-6-20/h7-8H,3-6,9-10H2,1-2H3,(H,18,19,22)
InChIKey
XTGSKGORDNKNQZ-UHFFFAOYSA-N
Synonyms
1010905-12-0
1010905120
2(((4hydroxy67dimethoxyquinazolin2yl)methyl)sulfanyl)1(pyrrolidin1yl)ethanone
67dimethoxy2((2oxo2pyrrolidin1ylethyl)sulfanylmethyl)1Hquinazolin4one
COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCCC3)OC
InChI=1SC17H21N3O4Sc1231371112(814(13)242)1815(1917(11)22)9251016(21)20534620h78H36910H212H3(H181922)
MFCD18163554
ZINC000012409121
ZINC12409121

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Available files

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