Vitas-M small molecule compound
2-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK050263
SMILES CC1CCc2c(C1)sc1c2c(=O)[nH]c(n1)c1ccc(cc1)OCCOc1ccc(c(c1)C)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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-16-4-11-22-23(14-16)33-27-24(22)26(30)28-25(29-27)19-6-9-20(10-7-19)31-12-13-32-21-8-5-17(2)18(3)15-21/h5-10,15-16H,4,11-14H2,1-3H3,(H,28,29,30)InChIKey
HQUGRGKLRXOEMF-UHFFFAOYSA-NSynonyms
2(4(2(34dimethylphenoxy)ethoxy)phenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(2(34dimethylphenoxy)ethoxy)phenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC=C(C=C4)OCCOC5=CC(=C(C=C5)C)C
CC1CCc2c(C1)sc1c2c(=O)(nH)c(n1)c1ccc(cc1)OCCOc1ccc(c(c1)C)C
InChI=1SC27H28N2O3Sc1164112223(1416)332724(22)26(30)2825(2927)196920(10719)31121332218517(2)18(3)1521h5101516H41114H213H3(H282930)
MFCD08051068
STK050263
ZINC000009434632
ZINC000009434633
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