Vitas-M small molecule compound
4-benzyl-1-(butylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK525794
SMILES CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)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 C29H32N4OS MW 484.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4OS/c1-2-3-18-35-28-31-30-27-32(20-21-12-6-4-7-13-21)26(34)24-25(33(27)28)23-15-9-8-14-22(23)19-29(24)16-10-5-11-17-29/h4,6-9,12-15H,2-3,5,10-11,16-20H2,1H3InChIKey
MPUKCTWQHYVYIY-UHFFFAOYSA-NSynonyms
372497-14-8372497148
4benzyl1(butylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1(butylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CCCCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC29H32N4OSc12318352831302732(2021126471321)26(34)2425(33(27)28)2315981422(23)1929(24)16105111729h4691215H23510111620H21H3
MFCD01943182
ZINC000002276996
ZINC2276996
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