Vitas-M small molecule compound
12-pentyl-9-(pentylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Catalog ID
STK554954
SMILES CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)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 C28H38N4OS MW 478.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N4OS/c1-3-5-12-18-31-24-22-15-9-8-14-21(22)20-28(16-10-7-11-17-28)23(24)25(33)32-26(31)29-30-27(32)34-19-13-6-4-2/h8-9,14-15H,3-7,10-13,16-20H2,1-2H3InChIKey
SMBZMPBGBLSTTB-UHFFFAOYSA-NSynonyms
840486-83-112pentyl9(pentylsulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
12pentyl9(pentylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclohexan)7(12H)one
840486831
CCCCCN1C2=C(C(=O)N3C1=NN=C3SCCCCC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H38N4OSc135121831242215981421(22)2028(16107111728)23(24)25(33)3226(31)293027(32)341913642h891415H3710131620H212H3
MFCD04007869
ZINC000002265299
ZINC02265299
ZINC2265299
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