Vitas-M small molecule compound
2-{2-[5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL012054
SMILES C=CCn1c(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1SC/C=C/c1ccccc1
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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 C28H24N4O2S MW 480.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O2S/c1-2-17-31-24(29-30-28(31)35-19-8-11-20-9-4-3-5-10-20)16-18-32-26(33)22-14-6-12-21-13-7-15-23(25(21)22)27(32)34/h2-15H,1,16-19H2/b11-8+InChIKey
DLTNOMPBGUKDTN-DHZHZOJOSA-NSynonyms
2(2(5(((2E)3phenylprop2en1yl)sulfanyl)4(prop2en1yl)4H124triazol3yl)ethyl)1Hbenzo(de)isoquinoline13(2H)dione
2(2(5((E)3phenylprop2enyl)sulfanyl4prop2enyl124triazol3yl)ethyl)benzo(de)isoquinoline13dione
C=CCN1C(=NN=C1SCC=CC2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
C=CCn1c(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1SCC=Cc1ccccc1
InChI=1SC28H24N4O2Sc12173124(293028(31)35198112094351020)16183226(33)2214612211371523(25(21)22)27(32)34h215H11619H2b118+
MFCD02658183
ZINC000016755364
ZINC16755364
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