Vitas-M small molecule compound
2-{[4-(2-methylphenyl)-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl]sulfanyl}acetamide
Catalog ID
STK524692
SMILES NC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)CCCCC3
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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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-17-9-3-6-12-20(17)31-24(34)22-23(32-25(31)29-30-26(32)35-16-21(28)33)19-11-5-4-10-18(19)15-27(22)13-7-2-8-14-27/h3-6,9-12H,2,7-8,13-16H2,1H3,(H2,28,33)InChIKey
MTJKRGJMJWGTMV-UHFFFAOYSA-NSynonyms
373612-58-92((4(2methylphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetamide
2((5oxo4(otolyl)57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetamide
373612589
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)N
InChI=1SC27H27N5O2Sc1179361220(17)3124(34)2223(3225(31)293026(32)351621(28)33)1911541018(19)1527(22)137281427h36912H2781316H21H3(H22833)
MFCD01948068
ZINC000002281236
ZINC2281236
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