Vitas-M small molecule compound

4-benzyl-1-(prop-2-en-1-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclopentan]-5(7H)-one

Catalog ID
STK831364
SMILES C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2Cc1ccccc1)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 C27H26N4OS MW 454.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4OS/c1-2-16-33-26-29-28-25-30(18-19-10-4-3-5-11-19)24(32)22-23(31(25)26)21-13-7-6-12-20(21)17-27(22)14-8-9-15-27/h2-7,10-13H,1,8-9,14-18H2
InChIKey
OBVHJXQFDNUIOE-UHFFFAOYSA-N
Synonyms

1(allylthio)4benzyl4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
4benzyl1(prop2en1ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclopentan)5(7H)one
C=CCSC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63
InChI=1SC27H26N4OSc1216332629282530(1819104351119)24(32)2223(31(25)26)2113761220(21)1727(22)14891527h271013H1891418H2
MFCD02235192
ZINC000002293739
ZINC2293739

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Available files

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