Vitas-M small molecule compound
1-(pentylsulfanyl)-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one
Catalog ID
STK530698
SMILES CCCCCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1)CCCC3
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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 C28H30N4OS MW 470.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4OS/c1-2-3-11-18-34-27-30-29-26-31(21-13-5-4-6-14-21)25(33)23-24(32(26)27)22-15-8-7-12-20(22)19-28(23)16-9-10-17-28/h4-8,12-15H,2-3,9-11,16-19H2,1H3InChIKey
ZUURUDDWQBVNIH-UHFFFAOYSA-NSynonyms
1(pentylsulfanyl)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
1(pentylthio)4phenyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
CCCCCSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC28H30N4OSc1231118342730292631(21135461421)25(33)2324(32(26)27)2215871220(22)1928(23)169101728h481215H239111619H21H3
MFCD02238816
ZINC000001805312
ZINC1805312
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