Vitas-M small molecule compound
ethyl ({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STL444777
SMILES C=CCn1c(CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1SCC(=O)OCC
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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 C24H24N4O4S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O4S/c1-3-13-27-19(25-26-24(27)33-15-20(29)32-4-2)12-7-14-28-22(30)17-10-5-8-16-9-6-11-18(21(16)17)23(28)31/h3,5-6,8-11H,1,4,7,12-15H2,2H3InChIKey
MIZZWRMIRJSRRY-UHFFFAOYSA-NSynonyms
325476-39-9325476399
CCOC(=O)CSC1=NN=C(N1CC=C)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
ETHYL((4ALLYL5(3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)4H124TRIAZOL3YL)SULFANYL)ACETATE
ethyl((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetate
ETHYL2((5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETATE
InChI=1SC24H24N4O4Sc13132719(252624(27)331520(29)3242)127142822(30)17105816961118(21(16)17)23(28)31h356811H1471215H22H3
MFCD01925735
ZINC000008432993
ZINC08432993
ZINC8432993
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