Vitas-M small molecule compound
2-ethoxy-4-[4-hydroxy-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]phenyl benzoate
Catalog ID
STK383244
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(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 C30H34N2O4S MW 518.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O4S/c1-5-30(3,4)20-13-14-21-24(17-20)37-28-25(21)27(33)31-26(32-28)19-12-15-22(23(16-19)35-6-2)36-29(34)18-10-8-7-9-11-18/h7-12,15-16,20,26,32H,5-6,13-14,17H2,1-4H3,(H,31,33)InChIKey
NXDWRPNQTXZJHJ-UHFFFAOYSA-NSynonyms
(2ethoxy4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)benzoate
2ethoxy4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenylbenzoate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CC=C5)OCC
InChI=1SC30H34N2O4Sc1530(34)2013142124(1720)372825(21)27(33)3126(3228)19121522(23(1619)3562)3629(34)18108791118h7121516202632H56131417H214H3(H3133)
MFCD03835574
ZINC000015946179
ZINC000015946185
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