Vitas-M small molecule compound

4-phenyl-1-[(2-phenylethyl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one

Catalog ID
STK531502
SMILES O=c1n(c2ccccc2)c2nnc(n2c2c1C1(CCCC1)Cc1c2cccc1)SCCc1ccccc1

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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(25-16-8-7-13-23(25)21-31(26)18-9-10-19-31)35-29(34(28)24-14-5-2-6-15-24)32-33-30(35)37-20-17-22-11-3-1-4-12-22/h1-8,11-16H,9-10,17-21H2
InChIKey
QQBWATULIRTMFH-UHFFFAOYSA-N
Synonyms

1(phenethylthio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
4phenyl1((2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCCC6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC31H28N4OSc36282627(2516871323(25)2131(26)189101931)3529(34(28)24145261524)323330(35)37201722113141222h181116H9101721H2
MFCD02238082
ZINC000002296139
ZINC2296139

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Available files

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