Vitas-M small molecule compound
4-{3-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoic acid
Catalog ID
STL079802
SMILES OC(=O)c1ccc(cc1)n1c(CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)n[nH]c1=S
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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 C24H18N4O4S MW 458.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N4O4S/c29-21-17-6-1-4-14-5-2-7-18(20(14)17)22(30)27(21)13-3-8-19-25-26-24(33)28(19)16-11-9-15(10-12-16)23(31)32/h1-2,4-7,9-12H,3,8,13H2,(H,26,33)(H,31,32)InChIKey
MEILAZSUXZSLPN-UHFFFAOYSA-NSynonyms
4(3(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)5thioxo15dihydro4H124triazol4yl)benzoicacid
4(3(3(13dioxobenzo(de)isoquinolin2yl)propyl)5sulfanylidene1H124triazol4yl)benzoicacid
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC4=NNC(=S)N4C5=CC=C(C=C5)C(=O)O
InChI=1SC24H18N4O4Sc2921176141452718(20(14)17)22(30)27(21)133819252624(33)28(19)1611915(101216)23(31)32h1247912H3813H2(H2633)(H3132)
MFCD08362491
OC(=O)c1ccc(cc1)n1c(CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)n(nH)c1=S
ZINC000027750559
ZINC27750559
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