Vitas-M small molecule compound
ethyl ({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STK788484
SMILES CCOC(=O)CSc1nnc(n1c1ccccc1)CCCCCn1c(=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 C29H28N4O4S MW 528.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4S/c1-2-37-25(34)19-38-29-31-30-24(33(29)21-13-5-3-6-14-21)17-7-4-8-18-32-27(35)22-15-9-11-20-12-10-16-23(26(20)22)28(32)36/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3InChIKey
VJRRTJGTQZXNSK-UHFFFAOYSA-NSynonyms
315239-26-0315239260
CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
ethyl((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)4phenyl4H124triazol3yl)sulfanyl)acetate
ETHYL2((5(5(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PENTYL)4PHENYL4H124TRIAZOL3YL)THIO)ACETATE
ETHYL2((5(5(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PENTYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETATE
InChI=1SC29H28N4O4Sc123725(34)193829313024(33(29)21135361421)17748183227(35)22159112012101623(26(20)22)28(32)36h356916H24781719H21H3
MFCD02162546
ZINC000004789479
ZINC4789479
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