Vitas-M small molecule compound
3-(3-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK831362
SMILES COc1cccc(c1)n1c(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)18-33-27-29-25-23-13-6-5-10-20(23)17-28(14-7-4-8-15-28)24(25)26(31)30(27)21-11-9-12-22(16-21)32-3/h5-6,9-13,16H,1,4,7-8,14-15,17-18H2,2-3H3InChIKey
IQPMOUBWYBWBQI-UHFFFAOYSA-NSynonyms
3(3methoxyphenyl)2((2methylallyl)thio)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3methoxyphenyl)2((2methylprop2en1yl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
3(3METHOXYPHENYL)2(2METHYLPROP2ENYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
CC(=C)CSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC28H30N2O2Sc119(2)18332729252313651020(23)1728(147481528)24(25)26(31)30(27)211191222(1621)323h5691316H147814151718H223H3
MFCD02237083
ZINC000001826935
ZINC01826935
ZINC1826935
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