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 2-iodobenzoate
Catalog ID
STK383892
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1I)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 C30H33IN2O4S MW 644.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33IN2O4S/c1-5-30(3,4)18-12-13-20-24(16-18)38-28-25(20)27(34)32-26(33-28)17-11-14-22(23(15-17)36-6-2)37-29(35)19-9-7-8-10-21(19)31/h7-11,14-15,18,26,33H,5-6,12-13,16H2,1-4H3,(H,32,34)InChIKey
SYCCBDKGXKAEJY-UHFFFAOYSA-NSynonyms
(2ethoxy4(7(2methylbutan2yl)4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)2iodobenzoate
2ethoxy4(4hydroxy7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl2iodobenzoate
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC(=O)C5=CC=CC=C5I)OCC
InChI=1SC30H33IN2O4Sc1530(34)1812132024(1618)382825(20)27(34)3226(3328)17111422(23(1517)3662)3729(35)199781021(19)31h7111415182633H56121316H214H3(H3234)
MFCD03848769
ZINC000150401449
ZINC000150401460
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