Vitas-M small molecule compound

3-benzyl-5-methyl-1-[2-(morpholin-4-yl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylic acid

Catalog ID
STK603296
SMILES OC(=O)c1sc2c(c1C)c(=O)n(c(=O)n2CCN1CCOCC1)Cc1ccccc1

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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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c1-14-16-18(25)24(13-15-5-3-2-4-6-15)21(28)23(19(16)30-17(14)20(26)27)8-7-22-9-11-29-12-10-22/h2-6H,7-13H2,1H3,(H,26,27)
InChIKey
DLCAHOMTTPYETD-UHFFFAOYSA-N
Synonyms
903859-51-8
3benzyl5methyl1(2(morpholin4yl)ethyl)24dioxo1234tetrahydrothieno(23d)pyrimidine6carboxylicacid
3benzyl5methyl1(2morpholin4ium4ylethyl)24dioxothieno(23d)pyrimidine6carboxylate
3benzyl5methyl1(2morpholinoethyl)24dioxo1234tetrahydrothieno(23d)pyrimidine6carboxylicacid
903859518
CC1=C(SC2=C1C(=O)N(C(=O)N2CC(NH+)3CCOCC3)CC4=CC=CC=C4)C(=O)(O)
InChI=1SC21H23N3O5Sc1141618(25)24(13155324615)21(28)23(19(16)3017(14)20(26)27)872291129121022h26H713H21H3(H2627)
MFCD08290287
ZINC000009410495
ZINC9410495

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Available files

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