Vitas-M small molecule compound
12-(2-methylbenzyl)-9-[(2-methylbenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Catalog ID
STK557968
SMILES Cc1ccccc1CSc1nnc2n1c(=O)c1c(n2Cc2ccccc2C)c2ccccc2CC21CCCCC2
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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 C34H34N4OS MW 546.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N4OS/c1-23-12-4-6-15-26(23)21-37-30-28-17-9-8-14-25(28)20-34(18-10-3-11-19-34)29(30)31(39)38-32(37)35-36-33(38)40-22-27-16-7-5-13-24(27)2/h4-9,12-17H,3,10-11,18-22H2,1-2H3InChIKey
LCQWBQZZOCMWEQ-UHFFFAOYSA-NSynonyms
578697-31-112(2methylbenzyl)9((2methylbenzyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
12(2methylbenzyl)9((2methylbenzyl)thio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
578697311
CC1=CC=CC=C1CN2C3=C(C(=O)N4C2=NN=C4SCC5=CC=CC=C5C)C6(CCCCC6)CC7=CC=CC=C73
InChI=1SC34H34N4OSc12312461526(23)2137302817981425(28)2034(18103111934)29(30)31(39)3832(37)353633(38)40222716751324(27)2h491217H310111822H212H3
MFCD04028975
ZINC000002385939
ZINC2385939
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