Vitas-M small molecule compound
2-{4-[(3-methylbenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK003098
SMILES Cc1cccc(c1)COc1ccc(cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C24H22N2O2S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O2S/c1-15-5-4-6-16(13-15)14-28-18-11-9-17(10-12-18)22-25-23(27)21-19-7-2-3-8-20(19)29-24(21)26-22/h4-6,9-13H,2-3,7-8,14H2,1H3,(H,25,26,27)InChIKey
CIRCTMWORBFZRI-UHFFFAOYSA-NSynonyms
2(4((3methylbenzyl)oxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4((3methylphenyl)methoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
Cc1cccc(c1)COc1ccc(cc1)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC24H22N2O2Sc11554616(1315)14281811917(101218)222523(27)2119723820(19)2924(21)2622h46913H237814H21H3(H252627)
MFCD05977321
STK003098
ZINC000004548951
ZINC04548951
ZINC4548951
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