Vitas-M small molecule compound

2-{[4-(2-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
STK524747
SMILES COc1ccccc1n1c2nnc(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/c1-35-20-12-6-5-11-19(20)31-24(34)22-23(32-25(31)29-30-26(32)36-16-21(28)33)18-10-4-3-9-17(18)15-27(22)13-7-2-8-14-27/h3-6,9-12H,2,7-8,13-16H2,1H3,(H2,28,33)
InChIKey
RHOQIAVVSFNVOM-UHFFFAOYSA-N
Synonyms
372505-25-4
2((4(2methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)sulfanyl)acetamide
2((4(2methoxyphenyl)5oxo57dihydro4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)1yl)thio)acetamide
372505254
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC(=O)N
InChI=1SC27H27N5O3Sc1352012651119(20)3124(34)2223(3225(31)293026(32)361621(28)33)181043917(18)1527(22)137281427h36912H2781316H21H3(H22833)
MFCD01944424
ZINC000002277809
ZINC2277809

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Available files

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