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'-cyclopentan]-7(12H)-one
Catalog ID
STK549724
SMILES Cc1ccccc1CSc1nnc2n1c(=O)c1c(n2Cc2ccccc2C)c2ccccc2CC21CCCC2
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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 C33H32N4OS MW 532.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4OS/c1-22-11-3-5-14-25(22)20-36-29-27-16-8-7-13-24(27)19-33(17-9-10-18-33)28(29)30(38)37-31(36)34-35-32(37)39-21-26-15-6-4-12-23(26)2/h3-8,11-16H,9-10,17-21H2,1-2H3InChIKey
JNFICMDHUBRPDW-UHFFFAOYSA-NSynonyms
835909-10-912(2methylbenzyl)9((2methylbenzyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
12(2methylbenzyl)9((2methylbenzyl)thio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
835909109
CC1=CC=CC=C1CN2C3=C(C(=O)N4C2=NN=C4SCC5=CC=CC=C5C)C6(CCCC6)CC7=CC=CC=C73
InChI=1SC33H32N4OSc12211351425(22)2036292716871324(27)1933(179101833)28(29)30(38)3731(36)343532(37)39212615641223(26)2h381116H9101721H212H3
MFCD03686994
ZINC000002249287
ZINC2249287
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