Vitas-M small molecule compound
2-{[4-(4-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
STK722664
SMILES NC(=O)CSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)C)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/c1-17-9-11-19(12-10-17)31-24(34)22-23(32-25(31)29-30-26(32)35-16-21(28)33)20-8-4-3-7-18(20)15-27(22)13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-16H2,1H3,(H2,28,33)InChIKey
RZNRQSKFUVQLHR-UHFFFAOYSA-NSynonyms
373372-64-62((4(4methylphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetamide
2((5oxo4(ptolyl)57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetamide
373372646
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)N
InChI=1SC27H27N5O2Sc11791119(121017)3124(34)2223(3225(31)293026(32)351621(28)33)20843718(20)1527(22)135261427h34712H2561316H21H3(H22833)
MFCD01946150
ZINC000000986056
ZINC986056
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