Vitas-M small molecule compound

2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(1H-imidazol-1-yl)propyl]acetamide

Catalog ID
STL070901
SMILES O=C(CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3)NCCCn1cncc1

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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 C31H29N7O3S MW 579.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N7O3S/c39-27(33-15-7-17-36-19-16-32-21-36)20-42-31-35-34-26(38(31)23-10-2-1-3-11-23)14-6-18-37-29(40)24-12-4-8-22-9-5-13-25(28(22)24)30(37)41/h1-5,8-13,16,19,21H,6-7,14-15,17-18,20H2,(H,33,39)
InChIKey
ARZKLFNIVSNSFZ-UHFFFAOYSA-N
Synonyms

2((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)sulfanyl)N(3(1Himidazol1yl)propyl)acetamide
2((5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(3IMIDAZOL1YLPROPYL)ACETAMIDE
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCN3C=CN=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC31H29N7O3Sc3927(3315717361916322136)204231353426(38(31)23102131123)146183729(40)24124822951325(28(22)24)30(37)41h15813161921H671415171820H2(H3339)
MFCD01943046
N(3(1Himidazol1yl)propyl)2((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)thio)acetamide
ZINC000029747464
ZINC29747464

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Available files

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