Vitas-M small molecule compound
2-{3-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK009724
SMILES CCOc1cc(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 C26H26N2O3S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3S/c1-3-30-21-14-18(12-13-20(21)31-15-17-10-8-16(2)9-11-17)24-27-25(29)23-19-6-4-5-7-22(19)32-26(23)28-24/h8-14H,3-7,15H2,1-2H3,(H,27,28,29)InChIKey
JSHJAFOKZPZLGM-UHFFFAOYSA-NSynonyms
2(3ethoxy4((4methylbenzyl)oxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3ethoxy4((4methylphenyl)methoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCC5=CC=C(C=C5)C
CCOc1cc(ccc1OCc1ccc(cc1)C)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC26H26N2O3Sc1330211418(121320(21)31151710816(2)91117)242725(29)2319645722(19)3226(23)2824h814H3715H212H3(H272829)
MFCD03256484
STK009724
ZINC000012285441
ZINC12285441
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