Vitas-M small molecule compound
2-(3-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807743
SMILES O=c1n(CCCSc2nnc(n2c2ccccc2)c2cccs2)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 C27H20N4O2S2 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O2S2/c32-25-20-12-4-8-18-9-5-13-21(23(18)20)26(33)30(25)15-7-17-35-27-29-28-24(22-14-6-16-34-22)31(27)19-10-2-1-3-11-19/h1-6,8-14,16H,7,15,17H2InChIKey
KESUEOVEDYSPIF-UHFFFAOYSA-NSynonyms
690249-67-32(3((4phenyl5(thiophen2yl)4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((4PHENYL5(THIOPHEN2YL)4H124TRIAZOL3YL)THIO)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(3((4PHENYL5THIOPHEN2YL124TRIAZOL3YL)SULFANYL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
690249673
C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=CS6
InChI=1SC27H20N4O2S2c322520124818951321(23(18)20)26(33)30(25)157173527292824(22146163422)31(27)19102131119h1681416H71517H2
MFCD05865811
ZINC000009489467
ZINC09489467
ZINC9489467
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