Vitas-M small molecule compound
3-(3-bromophenyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835976
SMILES C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)Br)CCCCC3
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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 C26H25BrN2OS MW 493.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrN2OS/c1-2-15-31-25-28-23-21-12-5-4-9-18(21)17-26(13-6-3-7-14-26)22(23)24(30)29(25)20-11-8-10-19(27)16-20/h2,4-5,8-12,16H,1,3,6-7,13-15,17H2InChIKey
UZMSZFASLDIWTI-UHFFFAOYSA-NSynonyms
2(allylthio)3(3bromophenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3bromophenyl)2(prop2en1ylsulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3BROMOPHENYL)2PROP2ENYLSULFANYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
C=CCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)Br)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC26H25BrN2OSc121531252823211254918(21)1726(136371426)22(23)24(30)29(25)201181019(27)1620h24581216H1367131517H2
MFCD02763771
ZINC000001855814
ZINC01855814
ZINC1855814
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