Vitas-M small molecule compound
4-(3-methoxyphenyl)-1-(pentylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK532296
SMILES CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1cccc(c1)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/c1-3-4-10-18-37-29-32-31-28-33(22-13-11-14-23(19-22)36-2)27(35)25-26(34(28)29)24-15-7-6-12-21(24)20-30(25)16-8-5-9-17-30/h6-7,11-15,19H,3-5,8-10,16-18,20H2,1-2H3InChIKey
MRJAGFBLOQSEAD-UHFFFAOYSA-NSynonyms
4(3methoxyphenyl)1(pentylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(3methoxyphenyl)1(pentylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCCCCSC1=NN=C2N1C3=C(C(=O)N2C4=CC(=CC=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC30H34N4O2Sc1341018372932312833(2213111423(1922)362)27(35)2526(34(28)29)2415761221(24)2030(25)168591730h67111519H35810161820H212H3
MFCD02238171
ZINC000001753507
ZINC1753507
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