Vitas-M small molecule compound

1-(butylsulfanyl)-4-(2-methoxyphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one

Catalog ID
STK833474
SMILES CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)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 C29H32N4O2S MW 500.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O2S/c1-3-4-18-36-28-31-30-27-32(22-14-8-9-15-23(22)35-2)26(34)24-25(33(27)28)21-13-7-6-12-20(21)19-29(24)16-10-5-11-17-29/h6-9,12-15H,3-5,10-11,16-19H2,1-2H3
InChIKey
LAJBJFPIJFZOML-UHFFFAOYSA-N
Synonyms
374083-03-1
1(butylsulfanyl)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(butylthio)4(2methoxyphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
374083031
CCCCSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC29H32N4O2Sc13418362831302732(2214891523(22)352)26(34)2425(33(27)28)2113761220(21)1929(24)16105111729h691215H3510111619H212H3
MFCD01949659
ZINC000002282244
ZINC2282244

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Available files

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