Vitas-M small molecule compound

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

Catalog ID
STK525594
SMILES C#CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1OC)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 C28H26N4O2S MW 482.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O2S/c1-3-17-35-27-30-29-26-31(21-13-7-8-14-22(21)34-2)25(33)23-24(32(26)27)20-12-6-5-11-19(20)18-28(23)15-9-4-10-16-28/h1,5-8,11-14H,4,9-10,15-18H2,2H3
InChIKey
WOTPSAZCVGIRIU-UHFFFAOYSA-N
Synonyms
374085-95-7
374085957
4(2methoxyphenyl)1(prop2yn1ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(2methoxyphenyl)1(prop2yn1ylthio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC#C
InChI=1SC28H26N4O2Sc1317352730292631(2113781422(21)342)25(33)2324(32(26)27)2012651119(20)1828(23)1594101628h1581114H49101518H22H3
MFCD01950240
ZINC000002282619
ZINC2282619

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Available files

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