Vitas-M small molecule compound
1-(butylsulfanyl)-4-(4-methoxybenzyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK832618
SMILES CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccc(cc1)OC)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 C30H34N4O2S MW 514.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O2S/c1-3-4-18-37-29-32-31-28-33(20-21-12-14-23(36-2)15-13-21)27(35)25-26(34(28)29)24-11-7-6-10-22(24)19-30(25)16-8-5-9-17-30/h6-7,10-15H,3-5,8-9,16-20H2,1-2H3InChIKey
XYSCGQGDNUXHAC-UHFFFAOYSA-NSynonyms
372499-63-31(butylsulfanyl)4(4methoxybenzyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(butylthio)4(4methoxybenzyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
372499633
CCCCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=C(C=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC30H34N4O2Sc13418372932312833(2021121423(362)151321)27(35)2526(34(28)29)2411761022(24)1930(25)168591730h671015H35891620H212H3
MFCD01943824
ZINC000002277428
ZINC2277428
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