Vitas-M small molecule compound

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

Catalog ID
STL252780
SMILES O=C(NCc1ccco1)CSc1nnc(n1c1ccccc1)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

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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 C28H21N5O4S MW 523.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O4S/c34-24(29-15-20-11-6-14-37-20)17-38-28-31-30-23(33(28)19-9-2-1-3-10-19)16-32-26(35)21-12-4-7-18-8-5-13-22(25(18)21)27(32)36/h1-14H,15-17H2,(H,29,34)
InChIKey
OIKXAPQWTIFDHO-UHFFFAOYSA-N
Synonyms
325693-35-4
2((5((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)methyl)4phenyl4H124triazol3yl)sulfanyl)N(furan2ylmethyl)acetamide
2((5((13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)METHYL)4PHENYL4H124TRIAZOL3YL)THIO)N(FURAN2YLMETHYL)ACETAMIDE
2((5((13DIOXOBENZO(DE)ISOQUINOLIN2YL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(FURAN2YLMETHYL)ACETAMIDE
325693354
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC28H21N5O4Sc3424(291520116143720)173828313023(33(28)1992131019)163226(35)21124718851322(25(18)21)27(32)36h114H1517H2(H2934)
MFCD01955978
ZINC000011852426
ZINC11852426

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Available files

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