Vitas-M small molecule compound
2-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK828082
SMILES COc1cc(ccc1OCCSc1ccc(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 C26H26N2O3S2 MW 478.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3S2/c1-16-7-10-18(11-8-16)32-14-13-31-20-12-9-17(15-21(20)30-2)24-27-25(29)23-19-5-3-4-6-22(19)33-26(23)28-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,27,28,29)InChIKey
FCOSPDSKQHFLNE-UHFFFAOYSA-NSynonyms
2(3methoxy4(2((4methylphenyl)sulfanyl)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3methoxy4(2(4methylphenyl)sulfanylethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
2(3methoxy4(2(ptolylthio)ethoxy)phenyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CC1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(ccc1OCCSc1ccc(cc1)C)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC26H26N2O3S2c11671018(11816)321413312012917(1521(20)302)242725(29)2319534622(19)3326(23)2824h71215H361314H212H3(H272829)
MFCD02955403
ZINC000008737946
ZINC08737946
ZINC8737946
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