Vitas-M small molecule compound
4-(2-methoxyphenyl)-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
STK525395
SMILES COc1ccccc1n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=C)C
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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 C29H30N4O2S MW 498.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O2S/c1-19(2)18-36-28-31-30-27-32(22-13-7-8-14-23(22)35-3)26(34)24-25(33(27)28)21-12-6-5-11-20(21)17-29(24)15-9-4-10-16-29/h5-8,11-14H,1,4,9-10,15-18H2,2-3H3InChIKey
BTEIIIVQWIXCIB-UHFFFAOYSA-NSynonyms
4(2methoxyphenyl)1((2methylallyl)thio)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
4(2methoxyphenyl)1((2methylprop2en1yl)sulfanyl)4Hspiro(benzo(h)(124)triazolo(43a)quinazoline61cyclohexan)5(7H)one
CC(=C)CSC1=NN=C2N1C3=C(C(=O)N2C4=CC=CC=C4OC)C5(CCCCC5)CC6=CC=CC=C63
InChI=1SC29H30N4O2Sc119(2)18362831302732(2213781423(22)353)26(34)2425(33(27)28)2112651120(21)1729(24)1594101629h581114H149101518H223H3
MFCD01957656
ZINC000002592269
ZINC2592269
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