Vitas-M small molecule compound
2-{[(8E)-8-benzylidene-4-phenyl-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STL115142
SMILES O=C(Nc1ccccc1)CSC1=NC2=C(C(N1)c1ccccc1)CCC/C/2=C\c1ccccc1
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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 C29H27N3OS MW 465.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3OS/c33-26(30-24-16-8-3-9-17-24)20-34-29-31-27(22-13-6-2-7-14-22)25-18-10-15-23(28(25)32-29)19-21-11-4-1-5-12-21/h1-9,11-14,16-17,19,27H,10,15,18,20H2,(H,30,33)(H,31,32)/b23-19+InChIKey
JGFDZTQPOZKIBO-FCDQGJHFSA-NSynonyms
2(((8E)8benzylidene4phenyl345678hexahydroquinazolin2yl)sulfanyl)Nphenylacetamide
2(((8E)8benzylidene4phenyl4567tetrahydro1Hquinazolin2yl)sulfanyl)Nphenylacetamide
C1CC(=CC2=CC=CC=C2)C3=C(C1)C(N=C(N3)SCC(=O)NC4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC29H27N3OSc3326(3024168391724)2034293127(22136271422)2518101523(28(25)3229)1921114151221h19111416171927H10151820H2(H3033)(H3132)b2319+
MFCD03177099
O=C(Nc1ccccc1)CSC1=NC2=C(C(N1)c1ccccc1)CCCC2=Cc1ccccc1
ZINC000102901895
ZINC000102901898
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