Vitas-M small molecule compound

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

Catalog ID
STK530396
SMILES Brc1ccc(cc1)C(=O)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 C32H27BrN4O2S MW 611.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27BrN4O2S/c33-24-14-12-22(13-15-24)26(38)20-40-31-35-34-30-36(19-21-8-2-1-3-9-21)29(39)27-28(37(30)31)25-11-5-4-10-23(25)18-32(27)16-6-7-17-32/h1-5,8-15H,6-7,16-20H2
InChIKey
VMIZCJXRAXAAKU-UHFFFAOYSA-N
Synonyms

4benzyl1((2(4bromophenyl)2oxoethyl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
4benzyl1((2(4bromophenyl)2oxoethyl)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=C(C=C6)Br)CC7=CC=CC=C7
InChI=1SC32H27BrN4O2Sc3324141222(131524)26(38)20403135343036(19218213921)29(39)2728(37(30)31)2511541023(25)1832(27)16671732h15815H671620H2
MFCD02236478
ZINC000101065141
ZINC101065141

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Available files

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