Vitas-M small molecule compound
11-(benzylsulfanyl)-4,4-dimethyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4,5-dihydrobenzo[h][1,2,4]triazolo[4,3-c]quinazoline
Catalog ID
STL440528
SMILES CC(=C)CSc1nnc2n1c(SCc1ccccc1)nc1c2C(C)(C)Cc2c1cccc2
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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 C26H26N4S2 MW 458.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4S2/c1-17(2)15-31-25-29-28-23-21-22(20-13-9-8-12-19(20)14-26(21,3)4)27-24(30(23)25)32-16-18-10-6-5-7-11-18/h5-13H,1,14-16H2,2-4H3InChIKey
XKJKSVPWACWAEH-UHFFFAOYSA-NSynonyms
11(benzylsulfanyl)44dimethyl1((2methylprop2en1yl)sulfanyl)45dihydrobenzo(h)(124)triazolo(43c)quinazoline
CC(=C)CSC1=NN=C2N1C(=NC3=C2C(CC4=CC=CC=C43)(C)C)SCC5=CC=CC=C5
InChI=1SC26H26N4S2c117(2)1531252928232122(2013981219(20)1426(213)4)2724(30(23)25)321618106571118h513H11416H224H3
MFCD08273223
ZINC000016850839
ZINC16850839
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