Vitas-M small molecule compound
1-(benzylsulfanyl)-4-(furan-2-ylmethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK531614
SMILES O=c1n(Cc2ccco2)c2nnc(n2c2c1C1(CCCCC1)Cc1c2cccc1)SCc1ccccc1
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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 C30H28N4O2S MW 508.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O2S/c35-27-25-26(24-14-6-5-12-22(24)18-30(25)15-7-2-8-16-30)34-28(33(27)19-23-13-9-17-36-23)31-32-29(34)37-20-21-10-3-1-4-11-21/h1,3-6,9-14,17H,2,7-8,15-16,18-20H2InChIKey
YEDLMEBMRVGUEY-UHFFFAOYSA-NSynonyms
1(benzylsulfanyl)4(furan2ylmethyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
1(benzylthio)4(furan2ylmethyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC6=CC=CC=C6)CC7=CC=CO7
InChI=1SC30H28N4O2Sc35272526(2414651222(24)1830(25)157281630)3428(33(27)1923139173623)313229(34)372021103141121h13691417H27815161820H2
MFCD02993048
ZINC000002298335
ZINC2298335
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