Vitas-M small molecule compound
1-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK530061
SMILES CCn1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCc1ccc(cc1)Br
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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 C27H27BrN4OS MW 535.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN4OS/c1-2-31-24(33)22-23(21-9-5-4-8-19(21)16-27(22)14-6-3-7-15-27)32-25(31)29-30-26(32)34-17-18-10-12-20(28)13-11-18/h4-5,8-13H,2-3,6-7,14-17H2,1H3InChIKey
HBDWRDNQZRUOHG-UHFFFAOYSA-NSynonyms
1((4bromobenzyl)sulfanyl)4ethyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1((4bromobenzyl)thio)4ethyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N5C1=NN=C5SCC6=CC=C(C=C6)Br
InChI=1SC27H27BrN4OSc123124(33)2223(21954819(21)1627(22)146371527)3225(31)293026(32)341718101220(28)131118h45813H23671417H21H3
MFCD02233524
ZINC000002291949
ZINC2291949
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