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]phenyl naphthalene-1-carboxylate
Catalog ID
STK383858
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1)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 C32H32N2O3S MW 524.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O3S/c1-4-32(2,3)21-14-17-25-26(18-21)38-30-27(25)29(35)33-28(34-30)20-12-15-22(16-13-20)37-31(36)24-11-7-9-19-8-5-6-10-23(19)24/h5-13,15-16,21,28,34H,4,14,17-18H2,1-3H3,(H,33,35)InChIKey
JCBYZWHHUXCAPJ-UHFFFAOYSA-NSynonyms
(4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)naphthalene1carboxylate
4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenylnaphthalene1carboxylate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=CC6=CC=CC=C65
InChI=1SC32H32N2O3Sc1432(23)2114172526(1821)383027(25)29(35)3328(3430)20121522(161320)3731(36)241179198561023(19)24h5131516212834H4141718H213H3(H3335)
MFCD03848753
ZINC000008919701
ZINC000008919719
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