Vitas-M small molecule compound
12-(3-methylbenzyl)-9-[(3-methylbenzyl)sulfanyl]-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Catalog ID
STK548943
SMILES Cc1cccc(c1)CSc1nnc2n1c(=O)c1c(n2Cc2cccc(c2)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/c1-22-9-7-11-24(17-22)20-36-29-27-14-4-3-13-26(27)19-33(15-5-6-16-33)28(29)30(38)37-31(36)34-35-32(37)39-21-25-12-8-10-23(2)18-25/h3-4,7-14,17-18H,5-6,15-16,19-21H2,1-2H3InChIKey
QNIJJLHTBMECRN-UHFFFAOYSA-NSynonyms
836649-99-112(3methylbenzyl)9((3methylbenzyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
12(3methylbenzyl)9((3methylbenzyl)thio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
836649991
CC1=CC(=CC=C1)CN2C3=C(C(=O)N4C2=NN=C4SCC5=CC=CC(=C5)C)C6(CCCC6)CC7=CC=CC=C73
InChI=1SC33H32N4OSc122971124(1722)2036292714431326(27)1933(15561633)28(29)30(38)3731(36)343532(37)3921251281023(2)1825h347141718H5615161921H212H3
MFCD03692009
ZINC000002253685
ZINC2253685
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