Vitas-M small molecule compound

4-[(2E)-2-(3-methoxy-4-{2-[2-(3-methylphenoxy)ethoxy]ethoxy}benzylidene)hydrazinyl]-2,6-di(pyrrolidin-1-yl)pyrimidine

Catalog ID
STK006844
SMILES COc1cc(/C=N/Nc2cc(nc(n2)N2CCCC2)N2CCCC2)ccc1OCCOCCOc1cccc(c1)C

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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 C31H40N6O4 MW 560.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N6O4/c1-24-8-7-9-26(20-24)40-18-16-39-17-19-41-27-11-10-25(21-28(27)38-2)23-32-35-29-22-30(36-12-3-4-13-36)34-31(33-29)37-14-5-6-15-37/h7-11,20-23H,3-6,12-19H2,1-2H3,(H,33,34,35)/b32-23+
InChIKey
YEXWBFQAFTWSRK-AWSUPERCSA-N
Synonyms

3METHOXY4(2(2(3METHYLPHENOXY)ETHOXY)ETHOXY)BENZALDEHYDE(26DIPYRROLIDIN1YLPYRIMIDIN4YL)HYDRAZONE
4((2E)2(3METHOXY4(2(2(3METHYLPHENOXY)ETHOXY)ETHOXY)BENZYLIDENE)HYDRAZINYL)26DI(PYRROLIDIN1YL)PYRIMIDINE
CC1=CC(=CC=C1)OCCOCCOC2=C(C=C(C=C2)C=NNC3=NC(=NC(=C3)N4CCCC4)N5CCCC5)OC
COc1cc(C=NNc2cc(nc(n2)N2CCCC2)N2CCCC2)ccc1OCCOCCOc1cccc(c1)C
InChI=1SC31H40N6O4c12487926(2024)4018163917194127111025(2128(27)382)233235292230(3612341336)3431(3329)3714561537h7112023H361219H212H3(H333435)b3223+
MFCD02198090
N((E)(3methoxy4(2(2(3methylphenoxy)ethoxy)ethoxy)phenyl)methylideneamino)26dipyrrolidin1ylpyrimidin4amine
STK006844
ZINC000008492211
ZINC100314825

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.