Vitas-M small molecule compound
methyl 4-[({5-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Catalog ID
STL444016
SMILES C=CCn1c(nnc1CCn1c(=O)c2cccc3c2c(c1=O)ccc3)SCc1ccc(cc1)C(=O)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 C28H24N4O4S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N4O4S/c1-3-15-31-23(29-30-28(31)37-17-18-10-12-20(13-11-18)27(35)36-2)14-16-32-25(33)21-8-4-6-19-7-5-9-22(24(19)21)26(32)34/h3-13H,1,14-17H2,2H3InChIKey
ZJIVYHNOZFPFPU-UHFFFAOYSA-NSynonyms
326880-24-4326880244
COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC28H24N4O4Sc13153123(293028(31)371718101220(131118)27(35)362)14163225(33)218461975922(24(19)21)26(32)34h313H11417H22H3
METHYL4(((4ALLYL5(2(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ETHYL)4H124TRIAZOL3YL)THIO)METHYL)BENZOATE
methyl4(((5(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)benzoate
METHYL4((5(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZOATE
MFCD02658184
ZINC000009434036
ZINC09434036
ZINC9434036
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