Vitas-M small molecule compound
2-(3-cyclohexyl-6,6-dimethyl-2,4-dioxo-3,4,5,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-1(6H)-yl)-N-(4-methoxyphenyl)acetamide
Catalog ID
STL443537
SMILES COc1ccc(cc1)NC(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2c1sc1c2CC(OC1)(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 C26H31N3O5S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O5S/c1-26(2)13-19-20(15-34-26)35-24-22(19)23(31)29(17-7-5-4-6-8-17)25(32)28(24)14-21(30)27-16-9-11-18(33-3)12-10-16/h9-12,17H,4-8,13-15H2,1-3H3,(H,27,30)InChIKey
VVWGELIOIRKCLF-UHFFFAOYSA-NSynonyms
2(3cyclohexyl66dimethyl24dioxo3458tetrahydro2Hpyrano(4345)thieno(23d)pyrimidin1(6H)yl)N(4methoxyphenyl)acetamide
2(3cyclohexyl66dimethyl24dioxo58dihydropyrano(23)thieno(24b)pyrimidin1yl)N(4methoxyphenyl)acetamide
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC(=O)NC4=CC=C(C=C4)OC)C5CCCCC5)C
InChI=1SC26H31N3O5Sc126(2)131920(153426)352422(19)23(31)29(177546817)25(32)28(24)1421(30)271691118(333)121016h91217H481315H213H3(H2730)
MFCD07756266
ZINC000008769951
ZINC08769951
ZINC8769951
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