Vitas-M small molecule compound

12-pentyl-9-(pentylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one

Catalog ID
STK556096
SMILES CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC21CCCC2

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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 C27H36N4OS MW 464.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N4OS/c1-3-5-11-17-30-23-21-14-8-7-13-20(21)19-27(15-9-10-16-27)22(23)24(32)31-25(30)28-29-26(31)33-18-12-6-4-2/h7-8,13-14H,3-6,9-12,15-19H2,1-2H3
InChIKey
LEHPHDZMHSVTEL-UHFFFAOYSA-N
Synonyms
843626-72-2
12pentyl9(pentylsulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
12pentyl9(pentylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
843626722
CCCCCN1C2=C(C(=O)N3C1=NN=C3SCCCCC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC27H36N4OSc135111730232114871320(21)1927(159101627)22(23)24(32)3125(30)282926(31)331812642h781314H369121519H212H3
MFCD04015691
ZINC000002438574
ZINC02438574
ZINC2438574

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Available files

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