Vitas-M small molecule compound
12-hexyl-9-(hexylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Catalog ID
STK551967
SMILES CCCCCCSc1nnc2n1c(=O)c1c(n2CCCCCC)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 C29H40N4OS MW 492.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N4OS/c1-3-5-7-13-19-32-25-23-16-10-9-15-22(23)21-29(17-11-12-18-29)24(25)26(34)33-27(32)30-31-28(33)35-20-14-8-6-4-2/h9-10,15-16H,3-8,11-14,17-21H2,1-2H3InChIKey
CBCDTMMJWPPTSB-UHFFFAOYSA-NSynonyms
836637-67-312hexyl9(hexylsulfanyl)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
12hexyl9(hexylthio)5Hspiro(benzo(h)(124)triazolo(34b)quinazoline61cyclopentan)7(12H)one
836637673
CCCCCCN1C2=C(C(=O)N3C1=NN=C3SCCCCCC)C4(CCCC4)CC5=CC=CC=C52
InChI=1SC29H40N4OSc13571319322523161091522(23)2129(1711121829)24(25)26(34)3327(32)303128(33)3520148642h9101516H3811141721H212H3
MFCD03689956
ZINC000013713346
ZINC13713346
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