Vitas-M small molecule compound
3-(2-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK835573
SMILES COc1ccccc1n1c(SCC(=C)C)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1
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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 C28H30N2O2S MW 458.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2S/c1-19(2)18-33-27-29-25-21-12-6-5-11-20(21)17-28(15-9-4-10-16-28)24(25)26(31)30(27)22-13-7-8-14-23(22)32-3/h5-8,11-14H,1,4,9-10,15-18H2,2-3H3InChIKey
UHHQHTICZDYMGY-UHFFFAOYSA-NSynonyms
3(2methoxyphenyl)2((2methylallyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2methoxyphenyl)2((2methylprop2en1yl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(2METHOXYPHENYL)2(2METHYLPROP2ENYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC(=C)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3OC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H30N2O2Sc119(2)18332729252112651120(21)1728(1594101628)24(25)26(31)30(27)2213781423(22)323h581114H149101518H223H3
MFCD01993039
ZINC000002299853
ZINC02299853
ZINC2299853
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