Vitas-M small molecule compound
4-benzyl-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK526090
SMILES CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)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 C30H34N4OS MW 498.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4OS/c1-2-3-12-19-36-29-32-31-28-33(21-22-13-6-4-7-14-22)27(35)25-26(34(28)29)24-16-9-8-15-23(24)20-30(25)17-10-5-11-18-30/h4,6-9,13-16H,2-3,5,10-12,17-21H2,1H3InChIKey
GWOFCAXZIQDAHP-UHFFFAOYSA-NSynonyms
372980-09-1372980091
4benzyl1(pentylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1(pentylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCCCCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC30H34N4OSc1231219362932312833(2122136471422)27(35)2526(34(28)29)2416981523(24)2030(25)17105111830h4691316H23510121721H21H3
MFCD01954530
ZINC000002287166
ZINC2287166
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