Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK532266
SMILES CCn1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)c1ccc(cc1)Br
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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 C28H27BrN4O2S MW 563.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN4O2S/c1-2-32-25(35)23-24(21-9-5-4-8-19(21)16-28(23)14-6-3-7-15-28)33-26(32)30-31-27(33)36-17-22(34)18-10-12-20(29)13-11-18/h4-5,8-13H,2-3,6-7,14-17H2,1H3InChIKey
NNUPHOGWCALJBC-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4ethyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((2(4bromophenyl)2oxoethyl)thio)4ethyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCC(=O)C6=CC=C(C=C6)Br
InChI=1SC28H27BrN4O2Sc123225(35)2324(21954819(21)1628(23)146371528)3326(32)303127(33)361722(34)18101220(29)131118h45813H23671417H21H3
MFCD02235402
ZINC000001884761
ZINC1884761
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