Vitas-M small molecule compound
2-(3-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807734
SMILES Clc1ccc(cc1)c1nnc([nH]1)SCCCn1c(=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 C23H17ClN4O2S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O2S/c24-16-10-8-15(9-11-16)20-25-23(27-26-20)31-13-3-12-28-21(29)17-6-1-4-14-5-2-7-18(19(14)17)22(28)30/h1-2,4-11H,3,12-13H2,(H,25,26,27)InChIKey
SKLDCFGRSYTZLQ-UHFFFAOYSA-NSynonyms
690249-58-22(3((5(4CHLOROPHENYL)1H124TRIAZOL3YL)SULFANYL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
2(3((5(4chlorophenyl)4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((5(4CHLOROPHENYL)4H124TRIAZOL3YL)THIO)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
690249582
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCSC4=NNC(=N4)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)c1nnc((nH)1)SCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
InChI=1SC23H17ClN4O2Sc241610815(91116)202523(272620)31133122821(29)176141452718(19(14)17)22(28)30h12411H31213H2(H252627)
MFCD05865802
ZINC000012080459
ZINC12080459
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