Vitas-M small molecule compound
2-{[4-(3-methoxyphenyl)-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
STK835967
SMILES COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)N
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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 C27H27N5O3S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3S/c1-35-19-10-7-9-18(14-19)31-24(34)22-23(32-25(31)29-30-26(32)36-16-21(28)33)20-11-4-3-8-17(20)15-27(22)12-5-2-6-13-27/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H2,28,33)InChIKey
PAMZODNNQHIEMM-UHFFFAOYSA-NSynonyms
2((4(3methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetamide
2((4(3methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetamide
COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)N
InChI=1SC27H27N5O3Sc13519107918(1419)3124(34)2223(3225(31)293026(32)361621(28)33)201143817(20)1527(22)125261327h3471114H25612131516H21H3(H22833)
MFCD02238953
ZINC000001300013
ZINC1300013
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