Vitas-M small molecule compound

2-[3-(4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STL444007
SMILES O=c1n(CCCc2nnc(n2c2ccccc2)SC/C=C/c2ccccc2)c(=O)c2c3c1cccc3ccc2

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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 C32H26N4O2S MW 530.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O2S/c37-30-26-18-7-14-24-15-8-19-27(29(24)26)31(38)35(30)21-9-20-28-33-34-32(36(28)25-16-5-2-6-17-25)39-22-10-13-23-11-3-1-4-12-23/h1-8,10-19H,9,20-22H2/b13-10+
InChIKey
JPQRDQCUVSWAOC-JLHYYAGUSA-N
Synonyms

2(3(4phenyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazol3yl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3(4PHENYL5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOL3YL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC32H26N4O2Sc37302618714241581927(29(24)26)31(38)35(30)2192028333432(36(28)25165261725)3922101323113141223h181019H92022H2b1310+
MFCD01995566
O=c1n(CCCc2nnc(n2c2ccccc2)SCC=Cc2ccccc2)c(=O)c2c3c1cccc3ccc2
ZINC000097957329
ZINC97957329

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Available files

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