Vitas-M small molecule compound
4-benzyl-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK804975
SMILES Sc1nnc2n1c1c3ccccc3CC3(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 C25H24N4OS MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4OS/c30-22-20-21(19-12-6-5-11-18(19)15-25(20)13-7-2-8-14-25)29-23(26-27-24(29)31)28(22)16-17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,27,31)InChIKey
WURWMUJJLZFYFP-UHFFFAOYSA-NSynonyms
337488-13-84benzyl1mercapto4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4benzyl1sulfanyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NNC(=S)N45)CC6=CC=CC=C6
InChI=1SC25H24N4OSc30222021(1912651118(19)1525(20)137281425)2923(262724(29)31)28(22)161793141017h136912H2781316H2(H2731)
MFCD01909947
ZINC000002277542
ZINC2277542
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