Vitas-M small molecule compound
1-(butylsulfanyl)-4-(furan-2-ylmethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK531469
SMILES CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccco1)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 C27H30N4O2S MW 474.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O2S/c1-2-3-16-34-26-29-28-25-30(18-20-11-9-15-33-20)24(32)22-23(31(25)26)21-12-6-5-10-19(21)17-27(22)13-7-4-8-14-27/h5-6,9-12,15H,2-4,7-8,13-14,16-18H2,1H3InChIKey
WLSGNUADGVFUFK-UHFFFAOYSA-NSynonyms
1(butylsulfanyl)4(furan2ylmethyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(butylthio)4(furan2ylmethyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCCCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CO4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC27H30N4O2Sc12316342629282530(1820119153320)24(32)2223(31(25)26)2112651019(21)1727(22)137481427h5691215H247813141618H21H3
MFCD02992326
ZINC000002288005
ZINC2288005
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