Vitas-M small molecule compound
4-(4-methoxybenzyl)-1-(propylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK833087
SMILES CCCSc1nnc2n1c1c3ccccc3CC3(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 C29H32N4O2S MW 500.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S/c1-3-17-36-28-31-30-27-32(19-20-11-13-22(35-2)14-12-20)26(34)24-25(33(27)28)23-10-6-5-9-21(23)18-29(24)15-7-4-8-16-29/h5-6,9-14H,3-4,7-8,15-19H2,1-2H3InChIKey
XUCTXIQVKMNJIV-UHFFFAOYSA-NSynonyms
373377-20-9373377209
4(4methoxybenzyl)1(propylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(4METHOXYBENZYL)1(PROPYLSULFANYL)67DIHYDROSPIRO(BENZO(H)(124)TRIAZOLO(43A)QUINAZOLINE61CYCLOHEXANE)5(4H)ONE
4(4methoxybenzyl)1(propylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=C(C=C4)OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC29H32N4O2Sc1317362831302732(1920111322(352)141220)26(34)2425(33(27)28)231065921(23)1829(24)157481629h56914H34781519H212H3
MFCD01947359
ZINC000002280791
ZINC2280791
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