Vitas-M small molecule compound
2-{3-[(1,3-benzodioxol-5-yloxy)methyl]-4-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STL173203
SMILES COc1ccc(cc1COc1ccc2c(c1)OCO2)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 C25H22N2O5S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S/c1-29-18-8-6-14(10-15(18)12-30-16-7-9-19-20(11-16)32-13-31-19)23-26-24(28)22-17-4-2-3-5-21(17)33-25(22)27-23/h6-11H,2-5,12-13H2,1H3,(H,26,27,28)InChIKey
SFVSGKWDJKNAOB-UHFFFAOYSA-NSynonyms
866743-17-12(3((13benzodioxol5yloxy)methyl)4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3(13benzodioxol5yloxymethyl)4methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
866743171
COC1=C(C=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)COC5=CC6=C(C=C5)OCO6
COc1ccc(cc1COc1ccc2c(c1)OCO2)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC25H22N2O5Sc129188614(1015(18)123016791920(1116)32133119)232624(28)2217423521(17)3325(22)2723h611H251213H21H3(H262728)
MFCD06196125
ZINC000020617895
ZINC20617895
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