Vitas-M small molecule compound

ethyl 4-[({[3-(4-fluorobenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STL014726
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(cc1)F

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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 C26H22FN3O4S MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN3O4S/c1-2-34-25(33)18-9-13-20(14-10-18)28-23(31)16-35-26-29-22-6-4-3-5-21(22)24(32)30(26)15-17-7-11-19(27)12-8-17/h3-14H,2,15-16H2,1H3,(H,28,31)
InChIKey
MVPNDLDKVZGYPB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F
ethyl4((((3(4fluorobenzyl)4oxo34dihydroquinazolin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2(3((4fluorophenyl)methyl)4oxoquinazolin2yl)sulfanylacetyl)amino)benzoate
InChI=1SC26H22FN3O4Sc123425(33)1891320(141018)2823(31)1635262922643521(22)24(32)30(26)151771119(27)12817h314H21516H21H3(H2831)
MFCD04535715
ZINC000051357507
ZINC51357507

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Available files

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