Vitas-M small molecule compound
2-(3-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807796
SMILES COc1cc(ccc1OC)c1nnc(n1c1ccccc1)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 C31H26N4O4S MW 550.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N4O4S/c1-38-25-16-15-21(19-26(25)39-2)28-32-33-31(35(28)22-11-4-3-5-12-22)40-18-8-17-34-29(36)23-13-6-9-20-10-7-14-24(27(20)23)30(34)37/h3-7,9-16,19H,8,17-18H2,1-2H3InChIKey
YWHJROXESBFDOL-UHFFFAOYSA-NSynonyms
2(3((5(34dimethoxyphenyl)4phenyl124triazol3yl)sulfanyl)propyl)benzo(de)isoquinoline13dione
2(3((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)OC
InChI=1SC31H26N4O4Sc13825161521(1926(25)392)28323331(35(28)22114351222)40188173429(36)231369201071424(27(20)23)30(34)37h3791619H81718H212H3
MFCD05885207
ZINC000097987850
ZINC97987850
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