Vitas-M small molecule compound
2-{[(8E)-8-benzylidene-4-phenyl-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Catalog ID
STL115143
SMILES CC(N(c1ccccc1)C(=O)CSC1=NC2=C(C(N1)c1ccccc1)CCC/C/2=C\c1ccccc1)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 C32H33N3OS MW 507.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3OS/c1-23(2)35(27-18-10-5-11-19-27)29(36)22-37-32-33-30(25-15-8-4-9-16-25)28-20-12-17-26(31(28)34-32)21-24-13-6-3-7-14-24/h3-11,13-16,18-19,21,23,30H,12,17,20,22H2,1-2H3,(H,33,34)/b26-21+InChIKey
PJEXBORPMCXGHD-YYADALCUSA-NSynonyms
2(((8E)8benzylidene4phenyl345678hexahydroquinazolin2yl)sulfanyl)NphenylN(propan2yl)acetamide
2(((8E)8benzylidene4phenyl4567tetrahydro1Hquinazolin2yl)sulfanyl)NphenylNpropan2ylacetamide
CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC(C3=C(N2)C(=CC4=CC=CC=C4)CCC3)C5=CC=CC=C5
CC(N(c1ccccc1)C(=O)CSC1=NC2=C(C(N1)c1ccccc1)CCCC2=Cc1ccccc1)C
InChI=1SC32H33N3OSc123(2)35(2718105111927)29(36)2237323330(25158491625)2820121726(31(28)3432)2124136371424h31113161819212330H12172022H212H3(H3334)b2621+
MFCD02712542
ZINC000017919230
ZINC000018192046
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