Vitas-M small molecule compound

2-(3-{[4-(4-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK807758
SMILES COc1ccc(cc1)n1c(SCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1c1cccnc1

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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 C29H23N5O3S MW 521.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O3S/c1-37-22-13-11-21(12-14-22)34-26(20-8-4-15-30-18-20)31-32-29(34)38-17-5-16-33-27(35)23-9-2-6-19-7-3-10-24(25(19)23)28(33)36/h2-4,6-15,18H,5,16-17H2,1H3
InChIKey
KXCFQFMHDIWRGH-UHFFFAOYSA-N
Synonyms
690249-84-4
2(3((4(4methoxyphenyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((4(4METHOXYPHENYL)5(PYRIDIN3YL)4H124TRIAZOL3YL)THIO)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(3((4(4METHOXYPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
690249844
COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CN=CC=C6
InChI=1SC29H23N5O3Sc13722131121(121422)3426(208415301820)313229(34)38175163327(35)2392619731024(25(19)23)28(33)36h2461518H51617H21H3
MFCD05865826
ZINC000009489606
ZINC09489606
ZINC9489606

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Available files

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