Vitas-M small molecule compound
[2,4-dioxo-1-{2-oxo-2-[(2-phenylethyl)amino]ethyl}-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl]acetic acid
Catalog ID
STK605440
SMILES O=C(Cn1c2sc3c(c2c(=O)n(c1=O)CC(=O)O)CCC3)NCCc1ccccc1
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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 C21H21N3O5S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S/c25-16(22-10-9-13-5-2-1-3-6-13)11-24-20-18(14-7-4-8-15(14)30-20)19(28)23(21(24)29)12-17(26)27/h1-3,5-6H,4,7-12H2,(H,22,25)(H,26,27)InChIKey
IHVQYQMAJHFUNF-UHFFFAOYSA-NSynonyms
903850-11-3(24dioxo1(2oxo2((2phenylethyl)amino)ethyl)1567tetrahydro2Hcyclopenta(45)thieno(23d)pyrimidin3(4H)yl)aceticacid
2(13dioxo4(2oxo2(2phenylethylamino)ethyl)78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin2yl)aceticacid
2(24dioxo1(2oxo2(phenethylamino)ethyl)67dihydro1Hcyclopenta(45)thieno(23d)pyrimidin3(2H4H5H)yl)aceticacid
903850113
C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NCCC4=CC=CC=C4)CC(=O)O
InChI=1SC21H21N3O5Sc2516(22109135213613)11242018(1474815(14)3020)19(28)23(21(24)29)1217(26)27h1356H4712H2(H2225)(H2627)
MFCD08293106
ZINC000009059516
ZINC9059516
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