Vitas-M small molecule compound
2-(3-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807818
SMILES O=c1n(CCCSc2nnc(n2c2ccccc2)C2COc3c(O2)cccc3)c(=O)c2c3c1cccc3ccc2
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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 C31H24N4O4S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N4O4S/c36-29-22-13-6-9-20-10-7-14-23(27(20)22)30(37)34(29)17-8-18-40-31-33-32-28(35(31)21-11-2-1-3-12-21)26-19-38-24-15-4-5-16-25(24)39-26/h1-7,9-16,26H,8,17-19H2InChIKey
IENUVQJETLPUQD-UHFFFAOYSA-NSynonyms
877818-62-72(3((5(23dihydro14benzodioxin2yl)4phenyl4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((5(23dihydro14benzodioxin3yl)4phenyl124triazol3yl)sulfanyl)propyl)benzo(de)isoquinoline13dione
2(3((5(23DIHYDROBENZO(B)(14)DIOXIN2YL)4PHENYL4H124TRIAZOL3YL)THIO)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
877818627
C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O
InChI=1SC31H24N4O4Sc3629221369201071423(27(20)22)30(37)34(29)178184031333228(35(31)21112131221)2619382415451625(24)3926h1791626H81719H2
MFCD06407524
ZINC000097959274
ZINC000097959275
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