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'-cyclopentan]-7(12H)-one
Catalog ID
STK557434
SMILES Clc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)Cl)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 C31H26Cl2N4OS MW 573.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26Cl2N4OS/c32-23-11-7-20(8-12-23)18-36-27-25-6-2-1-5-22(25)17-31(15-3-4-16-31)26(27)28(38)37-29(36)34-35-30(37)39-19-21-9-13-24(33)14-10-21/h1-2,5-14H,3-4,15-19H2InChIKey
QCPPPZNBPXXQAT-UHFFFAOYSA-NSynonyms
12(4chlorobenzyl)9((4chlorobenzyl)sulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
12(4chlorobenzyl)9((4chlorobenzyl)thio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N5C(=NN=C5SCC6=CC=C(C=C6)Cl)N4CC7=CC=C(C=C7)Cl
InChI=1SC31H26Cl2N4OSc322311720(81223)18362725621522(25)1731(15341631)26(27)28(38)3729(36)343530(37)39192191324(33)141021h12514H341519H2
MFCD04025380
ZINC000001813251
ZINC1813251
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