Vitas-M small molecule compound
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
Catalog ID
STK542460
SMILES COc1cc(CCNC(=O)CSc2nnc(o2)CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)ccc1OC
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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 C31H32N4O6S MW 588.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O6S/c1-39-24-14-13-20(18-25(24)40-2)15-16-32-26(36)19-42-31-34-33-27(41-31)12-4-3-5-17-35-29(37)22-10-6-8-21-9-7-11-23(28(21)22)30(35)38/h6-11,13-14,18H,3-5,12,15-17,19H2,1-2H3,(H,32,36)InChIKey
MHBMJLUYBVHJCM-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(O2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)OC
InChI=1SC31H32N4O6Sc13924141320(1825(24)402)15163226(36)194231343327(4131)12435173529(37)22106821971123(28(21)22)30(35)38h611131418H3512151719H212H3(H3236)
MFCD03147464
N(2(34dimethoxyphenyl)ethyl)2((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)134oxadiazol2yl)sulfanyl)acetamide
N(2(34DIMETHOXYPHENYL)ETHYL)2((5(5(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PENTYL)134OXADIAZOL2YL)SULFANYL)ACETAMIDE
N(34dimethoxyphenethyl)2((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)134oxadiazol2yl)thio)acetamide
ZINC000008433197
ZINC08433197
ZINC8433197
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