Vitas-M small molecule compound
4-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]-2-methoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK383859
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)OC)OC(=O)c1cccc2c1cccc2)O)(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 C33H34N2O4S MW 554.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O4S/c1-5-33(2,3)21-14-15-24-27(18-21)40-31-28(24)30(36)34-29(35-31)20-13-16-25(26(17-20)38-4)39-32(37)23-12-8-10-19-9-6-7-11-22(19)23/h6-13,16-17,21,29,35H,5,14-15,18H2,1-4H3,(H,34,36)InChIKey
AXCGMBCTOINKOF-UHFFFAOYSA-NSynonyms
(2methoxy4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)naphthalene1carboxylate
4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)2methoxyphenylnaphthalene1carboxylate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CC6=CC=CC=C65)OC
InChI=1SC33H34N2O4Sc1533(23)2114152427(1821)403128(24)30(36)3429(3531)20131625(26(1720)384)3932(37)2312810199671122(19)23h6131617212935H5141518H214H3(H3436)
MFCD03848754
ZINC000100913794
ZINC000100913797
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