Vitas-M small molecule compound
2-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK051955
SMILES COc1cc(ccc1OCc1ccc(cc1)C)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 C25H24N2O3S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O3S/c1-15-7-9-16(10-8-15)14-30-19-12-11-17(13-20(19)29-2)23-26-24(28)22-18-5-3-4-6-21(18)31-25(22)27-23/h7-13H,3-6,14H2,1-2H3,(H,26,27,28)InChIKey
YNFKTIVFADBDMT-UHFFFAOYSA-NSynonyms
2(3methoxy4((4methylbenzyl)oxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3methoxy4((4methylphenyl)methoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(ccc1OCc1ccc(cc1)C)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC25H24N2O3Sc1157916(10815)143019121117(1320(19)292)232624(28)2218534621(18)3125(22)2723h713H3614H212H3(H262728)
MFCD03256276
STK051955
ZINC000009434773
ZINC09434773
ZINC9434773
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