Vitas-M small molecule compound
4-benzyl-1-(benzylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Catalog ID
STK524379
SMILES O=c1n(Cc2ccccc2)c2nnc(n2c2c1C1(CCCC1)Cc1c2cccc1)SCc1ccccc1
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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 C31H28N4OS MW 504.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4OS/c36-28-26-27(25-16-8-7-15-24(25)19-31(26)17-9-10-18-31)35-29(34(28)20-22-11-3-1-4-12-22)32-33-30(35)37-21-23-13-5-2-6-14-23/h1-8,11-16H,9-10,17-21H2InChIKey
KFIHNTMWUHFHBK-UHFFFAOYSA-NSynonyms
4benzyl1(benzylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
4benzyl1(benzylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC6=CC=CC=C6)CC7=CC=CC=C7
InChI=1SC31H28N4OSc36282627(2516871524(25)1931(26)179101831)3529(34(28)2022113141222)323330(35)372123135261423h181116H9101721H2
MFCD01958241
ZINC000001779390
ZINC1779390
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