Vitas-M small molecule compound
1-(butylsulfanyl)-4-(2-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK525685
SMILES CCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)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/c1-3-4-18-35-28-31-30-27-32(23-15-9-6-12-20(23)2)26(34)24-25(33(27)28)22-14-8-7-13-21(22)19-29(24)16-10-5-11-17-29/h6-9,12-15H,3-5,10-11,16-19H2,1-2H3InChIKey
ZJHSDZFBILKVFP-UHFFFAOYSA-NSynonyms
374549-71-01(butylsulfanyl)4(2methylphenyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(butylthio)4(otolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
374549710
CCCCSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4C)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC29H32N4OSc13418352831302732(2315961220(23)2)26(34)2425(33(27)28)2214871321(22)1929(24)16105111729h691215H3510111619H212H3
MFCD01957271
ZINC000013775247
ZINC13775247
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