Vitas-M small molecule compound

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

Catalog ID
STK530195
SMILES O=C(c1ccccc1)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)CCCC3

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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 C32H28N4O2S MW 532.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O2S/c37-26(23-13-5-2-6-14-23)21-39-31-34-33-30-35(20-22-11-3-1-4-12-22)29(38)27-28(36(30)31)25-16-8-7-15-24(25)19-32(27)17-9-10-18-32/h1-8,11-16H,9-10,17-21H2
InChIKey
QEVQTEHIKFODDK-UHFFFAOYSA-N
Synonyms

4benzyl1((2oxo2phenylethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
4benzyl1((2oxo2phenylethyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC(=O)C6=CC=CC=C6)CC7=CC=CC=C7
InChI=1SC32H28N4O2Sc3726(23135261423)21393134333035(2022113141222)29(38)2728(36(30)31)2516871524(25)1932(27)179101832h181116H9101721H2
MFCD02234774
ZINC000001814257
ZINC1814257

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Available files

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