Vitas-M small molecule compound
4-ethyl-1-(hexylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK530526
SMILES CCCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2CC)CCCCC3
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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 C26H34N4OS MW 450.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N4OS/c1-3-5-6-12-17-32-25-28-27-24-29(4-2)23(31)21-22(30(24)25)20-14-9-8-13-19(20)18-26(21)15-10-7-11-16-26/h8-9,13-14H,3-7,10-12,15-18H2,1-2H3InChIKey
NBCFRWOHFUKEFY-UHFFFAOYSA-NSynonyms
4ethyl1(hexylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4ethyl1(hexylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCCCCCSC1=NN=C2N1C3=C(C(=O)N2CC)C4(CCCCC4)CC5=CC=CC=C53
InChI=1SC26H34N4OSc13561217322528272429(42)23(31)2122(30(24)25)2014981319(20)1826(21)15107111626h891314H3710121518H212H3
MFCD02237520
ZINC000001905487
ZINC1905487
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