Vitas-M small molecule compound
4-benzyl-1-(prop-2-en-1-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK831342
SMILES C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)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 C28H28N4OS MW 468.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4OS/c1-2-17-34-27-30-29-26-31(19-20-11-5-3-6-12-20)25(33)23-24(32(26)27)22-14-8-7-13-21(22)18-28(23)15-9-4-10-16-28/h2-3,5-8,11-14H,1,4,9-10,15-19H2InChIKey
AZACIWWEXCYXFZ-UHFFFAOYSA-NSynonyms
1(allylthio)4benzyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1(prop2en1ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
C=CCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC28H28N4OSc1217342730292631(1920115361220)25(33)2324(32(26)27)2214871321(22)1828(23)1594101628h23581114H149101519H2
MFCD01958277
ZINC000002287459
ZINC2287459
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