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-hydroxypropyl)acetamide
Catalog ID
STK532289
SMILES OCCCNC(=O)CSc1nnc(n1c1ccccc1)CCCn1c(=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 C28H27N5O4S MW 529.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4S/c34-17-7-15-29-24(35)18-38-28-31-30-23(33(28)20-10-2-1-3-11-20)14-6-16-32-26(36)21-12-4-8-19-9-5-13-22(25(19)21)27(32)37/h1-5,8-13,34H,6-7,14-18H2,(H,29,35)InChIKey
LDAQKTBIKAFQCC-UHFFFAOYSA-NSynonyms
325693-08-12((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)sulfanyl)N(3hydroxypropyl)acetamide
2((5(3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)4PHENYL4H124TRIAZOL3YL)THIO)N(3HYDROXYPROPYL)ACETAMIDE
2((5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(3HYDROXYPROPYL)ACETAMIDE
325693081
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCCCO)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC28H27N5O4Sc34177152924(35)183828313023(33(28)20102131120)146163226(36)21124819951322(25(19)21)27(32)37h1581334H671418H2(H2935)
MFCD01944178
ZINC000008687377
ZINC8687377
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