Vitas-M small molecule compound
12-(4-methylbenzyl)-9-[(4-methylbenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Catalog ID
STK555776
SMILES Cc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)C)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/c1-22-9-13-24(14-10-22)20-36-29-27-8-4-3-7-26(27)19-33(17-5-6-18-33)28(29)30(38)37-31(36)34-35-32(37)39-21-25-15-11-23(2)12-16-25/h3-4,7-16H,5-6,17-21H2,1-2H3InChIKey
CJPNIRLKKFSMTO-UHFFFAOYSA-NSynonyms
843617-86-712(4methylbenzyl)9((4methylbenzyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
12(4methylbenzyl)9((4methylbenzyl)thio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
843617867
CC1=CC=C(C=C1)CN2C3=C(C(=O)N4C2=NN=C4SCC5=CC=C(C=C5)C)C6(CCCC6)CC7=CC=CC=C73
InChI=1SC33H32N4OSc12291324(141022)20362927843726(27)1933(17561833)28(29)30(38)3731(36)343532(37)392125151123(2)121625h34716H561721H212H3
MFCD04013524
ZINC000097952995
ZINC97952995
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