Vitas-M small molecule compound

3-(3-methoxybenzyl)-1-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

Catalog ID
STL030450
SMILES COc1cccc(c1)Cn1c(=O)n(CC(=O)N2CCOc3c2cc(C)cc3)c2c(c1=O)scc2

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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 C25H23N3O5S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S/c1-16-6-7-21-20(12-16)26(9-10-33-21)22(29)15-27-19-8-11-34-23(19)24(30)28(25(27)31)14-17-4-3-5-18(13-17)32-2/h3-8,11-13H,9-10,14-15H2,1-2H3
InChIKey
MGRWZXPRGCUDAX-UHFFFAOYSA-N
Synonyms

3((3methoxyphenyl)methyl)1(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)thieno(32d)pyrimidine24dione
3(3methoxybenzyl)1(2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)thieno(32d)pyrimidine24(1H3H)dione
CC1=CC2=C(C=C1)OCCN2C(=O)CN3C4=C(C(=O)N(C3=O)CC5=CC(=CC=C5)OC)SC=C4
InChI=1SC25H23N3O5Sc116672120(1216)26(9103321)22(29)1527198113423(19)24(30)28(25(27)31)141743518(1317)322h381113H9101415H212H3
MFCD18190638
ZINC000067694925
ZINC67694925

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Available files

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