Vitas-M small molecule compound
methyl 4-[({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Catalog ID
STK978163
SMILES COC(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)CCCn1c(=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 C32H26N4O4S MW 562.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O4S/c1-40-31(39)23-17-15-21(16-18-23)20-41-32-34-33-27(36(32)24-10-3-2-4-11-24)14-7-19-35-29(37)25-12-5-8-22-9-6-13-26(28(22)25)30(35)38/h2-6,8-13,15-18H,7,14,19-20H2,1H3InChIKey
XPRKOSDTZAEUFA-UHFFFAOYSA-NSynonyms
325476-18-4325476184
COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC32H26N4O4Sc14031(39)23171521(161823)204132343327(36(32)24103241124)147193529(37)25125822961326(28(22)25)30(35)38h268131518H7141920H21H3
methyl4(((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)sulfanyl)methyl)benzoate
METHYL4(((5(3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)4PHENYL4H124TRIAZOL3YL)THIO)METHYL)BENZOATE
METHYL4((5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PHENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
MFCD02211853
ZINC000059832391
ZINC59832391
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