Vitas-M small molecule compound
12-hexyl-9-(hexylsulfanyl)-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Catalog ID
STK552237
SMILES CCCCCCSc1nnc2n1c(=O)c1c(n2CCCCCC)c2ccccc2CC1(C)C
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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 C27H38N4OS MW 466.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N4OS/c1-5-7-9-13-17-30-23-21-16-12-11-15-20(21)19-27(3,4)22(23)24(32)31-25(30)28-29-26(31)33-18-14-10-8-6-2/h11-12,15-16H,5-10,13-14,17-19H2,1-4H3InChIKey
HYHUUCLIFFMLGX-UHFFFAOYSA-NSynonyms
836625-98-012hexyl9(hexylsulfanyl)66dimethyl612dihydrobenzo(h)(124)triazolo(34b)quinazolin7(5H)one
12hexyl9(hexylthio)66dimethyl56dihydrobenzo(h)(124)triazolo(34b)quinazolin7(12H)one
836625980
CCCCCCN1C2=C(C(=O)N3C1=NN=C3SCCCCCC)C(CC4=CC=CC=C42)(C)C
InChI=1SC27H38N4OSc157913173023211612111520(21)1927(34)22(23)24(32)3125(30)282926(31)33181410862h11121516H51013141719H214H3
MFCD03688168
ZINC000009461498
ZINC09461498
ZINC9461498
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