Vitas-M small molecule compound
5-{2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl}-1,3-dimethyl-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,6(3H)-trione
Catalog ID
STK636529
SMILES O=C(N1CCC(CC1)c1nc2c(s1)cccc2)CC1C(=O)Nc2c1c(=O)n(c(=O)n2C)C
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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 C22H23N5O4S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S/c1-25-18-17(21(30)26(2)22(25)31)13(19(29)24-18)11-16(28)27-9-7-12(8-10-27)20-23-14-5-3-4-6-15(14)32-20/h3-6,12-13H,7-11H2,1-2H3,(H,24,29)InChIKey
UUFHEBPGUBOHFI-UHFFFAOYSA-NSynonyms
921055-35-85(2(4(13benzothiazol2yl)piperidin1yl)2oxoethyl)13dimethyl57dihydro1Hpyrrolo(23d)pyrimidine246(3H)trione
5(2(4(13benzothiazol2yl)piperidin1yl)2oxoethyl)13dimethyl57dihydropyrrolo(23d)pyrimidine246trione
5(2(4(benzo(d)thiazol2yl)piperidin1yl)2oxoethyl)13dimethyl1Hpyrrolo(23d)pyrimidine246(3H5H7H)trione
921055358
CN1C2=C(C(C(=O)N2)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)C(=O)N(C1=O)C
InChI=1SC22H23N5O4Sc1251817(21(30)26(2)22(25)31)13(19(29)2418)1116(28)279712(81027)202314534615(14)3220h361213H711H212H3(H2429)
MFCD08749226
ZINC000013629324
ZINC000101458965
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