Vitas-M small molecule compound
2-(3-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807780
SMILES COc1ccc(cc1)n1c(SCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nnc1c1ccc(c(c1)OC)OC
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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 C32H28N4O5S MW 580.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N4O5S/c1-39-23-14-12-22(13-15-23)36-29(21-11-16-26(40-2)27(19-21)41-3)33-34-32(36)42-18-6-17-35-30(37)24-9-4-7-20-8-5-10-25(28(20)24)31(35)38/h4-5,7-16,19H,6,17-18H2,1-3H3InChIKey
NMWNPCIXCMYCDJ-UHFFFAOYSA-NSynonyms
2(3((5(34dimethoxyphenyl)4(4methoxyphenyl)124triazol3yl)sulfanyl)propyl)benzo(de)isoquinoline13dione
2(3((5(34dimethoxyphenyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC(=C(C=C6)OC)OC
InChI=1SC32H28N4O5Sc13923141222(131523)3629(21111626(402)27(1921)413)333432(36)42186173530(37)2494720851025(28(20)24)31(35)38h4571619H61718H213H3
MFCD05885189
ZINC000097987849
ZINC97987849
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