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2-{[(8E)-8-[4-(difluoromethoxy)benzylidene]-4-(4-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide - 1,1-difluoroethane (1:1)

Catalog ID
STL112495
SMILES Oc1ccc(cc1)C1NC(=NC2=C1CCC/C/2=C\c1ccc(cc1)OC(F)F)SCC(=O)N(c1ccccc1)C(C)C.CC(F)F

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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 C35H37F4N3O3S MW 655.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33F2N3O3S.C2H4F2/c1-21(2)38(25-8-4-3-5-9-25)29(40)20-42-33-36-30(23-13-15-26(39)16-14-23)28-10-6-7-24(31(28)37-33)19-22-11-17-27(18-12-22)41-32(34)35;1-2(3)4/h3-5,8-9,11-19,21,30,32,39H,6-7,10,20H2,1-2H3,(H,36,37);2H,1H3/b24-19+;
InChIKey
ZEXRNXXXDVMDDD-UUWMJBOLSA-N
Synonyms

11difluoroethane2(((8E)8((4(difluoromethoxy)phenyl)methylidene)4(4hydroxyphenyl)4567tetrahydro1Hquinazolin2yl)sulfanyl)NphenylNpropan2ylacetamide
2(((8E)8(4(difluoromethoxy)benzylidene)4(4hydroxyphenyl)345678hexahydroquinazolin2yl)sulfanyl)NphenylN(propan2yl)acetamide11difluoroethane(11)
CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC(C3=C(N2)C(=CC4=CC=C(C=C4)OC(F)F)CCC3)C5=CC=C(C=C5)OCC(F)F
InChI=1SC33H33F2N3O3SC2H4F2c121(2)38(258435925)29(40)2042333630(23131526(39)161423)28106724(31(28)3733)1922111727(181222)4132(34)3512(3)4h3589111921303239H671020H212H3(H3637)2H1H3b2419+
MFCD20746953
Oc1ccc(cc1)C1NC(=NC2=C1CCCC2=Cc1ccc(cc1)OC(F)F)SCC(=O)N(c1ccccc1)C(C)CCC(F)F
ZINC000097970782
ZINC000097970783

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Available files

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