Vitas-M small molecule compound
4-(2-methylphenyl)-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
STK831345
SMILES C#CCSc1nnc2n1c1c3ccccc3CC3(c1c(=O)n2c1ccccc1C)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 C28H26N4OS MW 466.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4OS/c1-3-17-34-27-30-29-26-31(22-14-8-5-11-19(22)2)25(33)23-24(32(26)27)21-13-7-6-12-20(21)18-28(23)15-9-4-10-16-28/h1,5-8,11-14H,4,9-10,15-18H2,2H3InChIKey
ALCDRQOBDJCXQE-UHFFFAOYSA-NSynonyms
374550-16-01(prop2yn1ylthio)4(otolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
374550160
4(2methylphenyl)1(prop2yn1ylsulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCC#C
InChI=1SC28H26N4OSc1317342730292631(2214851119(22)2)25(33)2324(32(26)27)2113761220(21)1828(23)1594101628h1581114H49101518H22H3
MFCD01957354
ZINC000002898787
ZINC2898787
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