Vitas-M small molecule compound

(2Z)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide

Catalog ID
STK474000
SMILES N#C/C(=C/c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccc(cc1)F)/C(=O)NCC1CCCO1

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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 C27H27FN4O4 MW 490.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O4/c1-34-24-10-7-19(13-25(24)35-2)26-21(17-32(31-26)16-18-5-8-22(28)9-6-18)12-20(14-29)27(33)30-15-23-4-3-11-36-23/h5-10,12-13,17,23H,3-4,11,15-16H2,1-2H3,(H,30,33)/b20-12-
InChIKey
UVCITWDLCJKIDQ-NDENLUEZSA-N
Synonyms

(2Z)2cyano3(3(34dimethoxyphenyl)1(4fluorobenzyl)1Hpyrazol4yl)N(tetrahydrofuran2ylmethyl)prop2enamide
(2Z)3(3(34DIMETHOXYPHENYL)1((4FLUOROPHENYL)METHYL)PYRAZOL4YL)2CYANON(OXOLAN2YLMETHYL)PROP2ENAMIDE
(Z)2cyano3(3(34dimethoxyphenyl)1((4fluorophenyl)methyl)pyrazol4yl)N(oxolan2ylmethyl)prop2enamide
COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NCC3CCCO3)CC4=CC=C(C=C4)F)OC
InChI=1SC27H27FN4O4c1342410719(1325(24)352)2621(1732(3126)16185822(28)9618)1220(1429)27(33)30152343113623h51012131723H34111516H212H3(H3033)b2012
MFCD06160866
ZINC000020259253
ZINC000020259255

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Available files

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