Vitas-M small molecule compound
4-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]-2-methoxyphenyl 4-chlorobenzoate
Catalog ID
STK078354
SMILES COc1cc(/C=N/Nc2cc(nc(n2)N2CCCC2)N2CCCC2)ccc1OC(=O)c1ccc(cc1)Cl
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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 C27H29ClN6O3 MW 521.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN6O3/c1-36-23-16-19(6-11-22(23)37-26(35)20-7-9-21(28)10-8-20)18-29-32-24-17-25(33-12-2-3-13-33)31-27(30-24)34-14-4-5-15-34/h6-11,16-18H,2-5,12-15H2,1H3,(H,30,31,32)/b29-18+InChIKey
TUCSUPYHSSTFSX-RDRPBHBLSA-NSynonyms
(4((E)((26dipyrrolidin1ylpyrimidin4yl)hydrazinylidene)methyl)2methoxyphenyl)4chlorobenzoate
(E)4((2(26di(pyrrolidin1yl)pyrimidin4yl)hydrazono)methyl)2methoxyphenyl4chlorobenzoate
4((E)(2(26DI(PYRROLIDIN1YL)PYRIMIDIN4YL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL4CHLOROBENZOATE
COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=C2)N3CCCC3)N4CCCC4)OC(=O)C5=CC=C(C=C5)Cl
COc1cc(C=NNc2cc(nc(n2)N2CCCC2)N2CCCC2)ccc1OC(=O)c1ccc(cc1)Cl
InChI=1SC27H29ClN6O3c136231619(61122(23)3726(35)207921(28)10820)182932241725(3312231333)3127(3024)3414451534h6111618H251215H21H3(H303132)b2918+
MFCD02986074
STK078354
ZINC000009042837
ZINC33506983
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