Vitas-M small molecule compound
12-(4-chlorobenzyl)-9-[(4-chlorobenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Catalog ID
STK555068
SMILES Clc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)Cl)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 C32H28Cl2N4OS MW 587.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28Cl2N4OS/c33-24-12-8-21(9-13-24)19-37-28-26-7-3-2-6-23(26)18-32(16-4-1-5-17-32)27(28)29(39)38-30(37)35-36-31(38)40-20-22-10-14-25(34)15-11-22/h2-3,6-15H,1,4-5,16-20H2InChIKey
NCRCDSNPCCVGIH-UHFFFAOYSA-NSynonyms
12(4chlorobenzyl)9((4chlorobenzyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
12(4chlorobenzyl)9((4chlorobenzyl)thio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N5C(=NN=C5SCC6=CC=C(C=C6)Cl)N4CC7=CC=C(C=C7)Cl
InChI=1SC32H28Cl2N4OSc332412821(91324)19372826732623(26)1832(164151732)27(28)29(39)3830(37)353631(38)402022101425(34)151122h23615H1451620H2
MFCD04008663
ZINC000001796406
ZINC1796406
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