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-(pyridin-3-ylmethyl)acetamide

Catalog ID
STL444009
SMILES O=C(CSc1nnc(n1c1ccccc1)CCCn1c(=O)c2cccc3c2c(c1=O)ccc3)NCc1cccnc1

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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 C31H26N6O3S MW 562.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N6O3S/c38-27(33-19-21-8-6-16-32-18-21)20-41-31-35-34-26(37(31)23-11-2-1-3-12-23)15-7-17-36-29(39)24-13-4-9-22-10-5-14-25(28(22)24)30(36)40/h1-6,8-14,16,18H,7,15,17,19-20H2,(H,33,38)
InChIKey
ONMQZGJQIBVKHI-UHFFFAOYSA-N
Synonyms
315239-13-5
2((5(3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N(3PYRIDINYLMETHYL)ACETAMIDE
2((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)sulfanyl)N(pyridin3ylmethyl)acetamide
2((5(3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)4PHENYL4H124TRIAZOL3YL)THIO)N(PYRIDIN3YLMETHYL)ACETAMIDE
2((5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(PYRIDIN3YLMETHYL)ACETAMIDE
315239135
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC31H26N6O3Sc3827(3319218616321821)204131353426(37(31)23112131223)157173629(39)241349221051425(28(22)24)30(36)40h168141618H715171920H2(H3338)
MFCD02220787
ZINC000008431913
ZINC08431913
ZINC8431913

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Available files

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