Vitas-M small molecule compound
2-{5-[5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]pentyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL444012
SMILES OCCN1CCN(CC1)C(=O)CSc1nnc(n1c1ccccc1)CCCCCn1c(=O)c2cccc3c2c(c1=O)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 C33H36N6O4S MW 612.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N6O4S/c40-22-21-36-17-19-37(20-18-36)29(41)23-44-33-35-34-28(39(33)25-11-3-1-4-12-25)15-5-2-6-16-38-31(42)26-13-7-9-24-10-8-14-27(30(24)26)32(38)43/h1,3-4,7-14,40H,2,5-6,15-23H2InChIKey
CTIZCHYSTCRTLX-UHFFFAOYSA-NSynonyms
2(5(5((2(4(2hydroxyethyl)piperazin1yl)2oxoethyl)sulfanyl)4phenyl4H124triazol3yl)pentyl)1Hbenzo(de)isoquinoline13(2H)dione
2(5(5(2(4(2HYDROXYETHYL)PIPERAZIN1YL)2OXOETHYL)SULFANYL4PHENYL124TRIAZOL3YL)PENTYL)BENZO(DE)ISOQUINOLINE13DIONE
C1CN(CCN1CCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC33H36N6O4Sc40222136171937(201836)29(41)234433353428(39(33)25113141225)15526163831(42)261379241081427(30(24)26)32(38)43h13471440H2561523H2
MFCD02329933
ZINC000006154175
ZINC6154175
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