Vitas-M small molecule compound
4-(4-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Catalog ID
STK524413
SMILES CC(=C)CSc1nnc2n1c1c3ccccc3CC3(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 C29H30N4OS MW 482.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4OS/c1-19(2)18-35-28-31-30-27-32(22-13-11-20(3)12-14-22)26(34)24-25(33(27)28)23-10-6-5-9-21(23)17-29(24)15-7-4-8-16-29/h5-6,9-14H,1,4,7-8,15-18H2,2-3H3InChIKey
YYNBAQCTUAYDFA-UHFFFAOYSA-NSynonyms
373618-10-11((2methylallyl)thio)4(ptolyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
373618101
4(4methylphenyl)1((2methylprop2en1yl)sulfanyl)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)C
InChI=1SC29H30N4OSc119(2)18352831302732(22131120(3)121422)26(34)2425(33(27)28)231065921(23)1729(24)157481629h56914H14781518H223H3
MFCD01949130
ZINC000002281901
ZINC2281901
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