Vitas-M small molecule compound
2-(3-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807717
SMILES O=c1c2cccc3c2c(c(=O)n1CCCSc1nnc(n1c1ccccc1)c1ccncc1)ccc3
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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 C28H21N5O2S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O2S/c34-26-22-11-4-7-19-8-5-12-23(24(19)22)27(35)32(26)17-6-18-36-28-31-30-25(20-13-15-29-16-14-20)33(28)21-9-2-1-3-10-21/h1-5,7-16H,6,17-18H2InChIKey
OLIRPAJQQRDVKM-UHFFFAOYSA-NSynonyms
690249-42-42(3((4phenyl5(pyridin4yl)4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((4PHENYL5(PYRIDIN4YL)4H124TRIAZOL3YL)THIO)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(3((4PHENYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
690249424
C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6
InChI=1SC28H21N5O2Sc342622114719851223(24(19)22)27(35)32(26)176183628313025(20131529161420)33(28)2192131021h15716H61718H2
MFCD05865785
ZINC000009489604
ZINC09489604
ZINC9489604
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