Vitas-M small molecule compound
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK246050
SMILES C=CCn1c(SCC(=O)N2CCCc3c2cccc3)nnc1c1cc2c(o1)c(OC)ccc2
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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 C25H24N4O3S MW 460.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S/c1-3-13-29-24(21-15-18-9-6-12-20(31-2)23(18)32-21)26-27-25(29)33-16-22(30)28-14-7-10-17-8-4-5-11-19(17)28/h3-6,8-9,11-12,15H,1,7,10,13-14,16H2,2H3InChIKey
HNVHLLLRQWZEKH-UHFFFAOYSA-NSynonyms
1(34dihydro2Hquinolin1yl)2((5(7methoxy1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)ethanone
1(34DIHYDROQUINOLIN1(2H)YL)2((5(7METHOXY1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
2(4ALLYL5(7METHOXYBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)1(34DIHYDRO2HQUINOLIN1YL)ETHANONE
COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)N4CCCC5=CC=CC=C54
InChI=1SC25H24N4O3Sc13132924(211518961220(312)23(18)3221)262725(29)331622(30)2814710178451119(17)28h3689111215H1710131416H22H3
MFCD08670942
ZINC000009328729
ZINC09328729
ZINC9328729
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