Vitas-M small molecule compound
12-hexyl-9-(hexylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Catalog ID
STK550568
SMILES CCCCCCSc1nnc2n1c(=O)c1c(n2CCCCCC)c2ccccc2CC21CCCCC2
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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 C30H42N4OS MW 506.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H42N4OS/c1-3-5-7-14-20-33-26-24-17-11-10-16-23(24)22-30(18-12-9-13-19-30)25(26)27(35)34-28(33)31-32-29(34)36-21-15-8-6-4-2/h10-11,16-17H,3-9,12-15,18-22H2,1-2H3InChIKey
UQONTYXHQODIAV-UHFFFAOYSA-NSynonyms
836635-59-712hexyl9(hexylsulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
12hexyl9(hexylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
836635597
CCCCCCN1C2=C(C(=O)N3C1=NN=C3SCCCCCC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC30H42N4OSc135714203326241711101623(24)2230(18129131930)25(26)27(35)3428(33)313229(34)3621158642h10111617H3912151822H212H3
MFCD03689693
ZINC000009462174
ZINC09462174
ZINC9462174
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