Vitas-M small molecule compound
2,2'-(propane-1,3-diyldisulfanediyl)bis[3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one]
Catalog ID
STK531667
SMILES COc1ccc(cc1)n1c(SCCCSc2nc3c4ccccc4CC4(c3c(=O)n2c2ccc(cc2)OC)CCCCC4)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 C51H52N4O4S2 MW 849.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H52N4O4S2/c1-58-38-22-18-36(19-23-38)54-46(56)42-44(40-16-7-5-14-34(40)32-50(42)26-9-3-10-27-50)52-48(54)60-30-13-31-61-49-53-45-41-17-8-6-15-35(41)33-51(28-11-4-12-29-51)43(45)47(57)55(49)37-20-24-39(59-2)25-21-37/h5-8,14-25H,3-4,9-13,26-33H2InChIKey
MRJRGQTVTBQEOH-UHFFFAOYSA-NSynonyms
22(propane13diylbis(sulfanediyl))bis(3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
22(propane13diyldisulfanediyl)bis(3(4methoxyphenyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one)
3(4METHOXYPHENYL)2(3(3(4METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLPROPYLSULFANYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCCSC6=NC7=C(C(=O)N6C8=CC=C(C=C8)OC)C9(CCCCC9)CC1=CC=CC=C17
InChI=1SC51H52N4O4S2c15838221836(192338)5446(56)4244(4016751434(40)3250(42)2693102750)5248(54)60301331614953454117861535(41)3351(28114122951)43(45)47(57)55(49)37202439(592)252137h581425H349132633H212H3
MFCD02990654
ZINC000150412070
ZINC150412070
Check stock
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Check stock on Vitas-MAvailable files
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