Vitas-M small molecule compound
3-(4-methoxyphenyl)-2-[(3-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}propyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK531571
SMILES COc1ccc(cc1)n1c(SCCCSc2nc3c4ccccc4CC4(c3c(=O)n2CC(=C)C)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 C48H52N4O3S2 MW 797.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H52N4O3S2/c1-32(2)31-51-43(53)39-41(37-17-8-6-15-33(37)29-47(39)23-10-4-11-24-47)49-45(51)56-27-14-28-57-46-50-42-38-18-9-7-16-34(38)30-48(25-12-5-13-26-48)40(42)44(54)52(46)35-19-21-36(55-3)22-20-35/h6-9,15-22H,1,4-5,10-14,23-31H2,2-3H3InChIKey
XRADPQRRQDHMCW-UHFFFAOYSA-NSynonyms
2((3((3(4methoxyphenyl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)thio)propyl)thio)3(2methylallyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(3(3(4METHOXYPHENYL)4OXOSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)2YL)SULFANYLPROPYLSULFANYL)3(2METHYLPROP2ENYL)SPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
3(4methoxyphenyl)2((3((3(2methylprop2en1yl)4oxo46dihydro3Hspiro(benzo(h)quinazoline51cyclohexan)2yl)sulfanyl)propyl)sulfanyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H
CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCCSC5=NC6=C(C(=O)N5C7=CC=C(C=C7)OC)C8(CCCCC8)CC9=CC=CC=C96
InChI=1SC48H52N4O3S2c132(2)315143(53)3941(3717861533(37)2947(39)23104112447)4945(51)56271428574650423818971634(38)3048(25125132648)40(42)44(54)52(46)35192136(553)222035h691522H14510142331H223H3
MFCD02986298
ZINC000150411586
ZINC150411586
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