Vitas-M small molecule compound

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

Catalog ID
STK525648
SMILES C=CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccc(cc1)C)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 C28H28N4OS MW 468.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4OS/c1-3-17-34-27-30-29-26-31(21-13-11-19(2)12-14-21)25(33)23-24(32(26)27)22-10-6-5-9-20(22)18-28(23)15-7-4-8-16-28/h3,5-6,9-14H,1,4,7-8,15-18H2,2H3
InChIKey
LWHLSEDGXWTJAO-UHFFFAOYSA-N
Synonyms
372495-55-1
1(allylthio)4(ptolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
372495551
4(4methylphenyl)1(prop2en1ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC=C
InChI=1SC28H28N4OSc1317342730292631(21131119(2)121421)25(33)2324(32(26)27)221065920(22)1828(23)157481628h356914H14781518H22H3
MFCD01942891
ZINC000002276808
ZINC2276808

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Available files

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