Vitas-M small molecule compound

(2E)-3-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}prop-2-enamide

Catalog ID
STK903471
SMILES CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)/C=C/c1cn(nc1c1ccc(cc1)F)c1ccccc1

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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 C30H29FN4O3S MW 544.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29FN4O3S/c1-22-6-5-19-34(20-22)39(37,38)28-16-14-26(15-17-28)32-29(36)18-11-24-21-35(27-7-3-2-4-8-27)33-30(24)23-9-12-25(31)13-10-23/h2-4,7-18,21-22H,5-6,19-20H2,1H3,(H,32,36)/b18-11+
InChIKey
LGKUUELLSDIQGJ-WOJGMQOQSA-N
Synonyms

(2E)3(3(4fluorophenyl)1phenyl1Hpyrazol4yl)N(4((3methylpiperidin1yl)sulfonyl)phenyl)prop2enamide
(E)3(3(4FLUOROPHENYL)1PHENYLPYRAZOL4YL)N(4(3METHYLPIPERIDIN1YL)SULFONYLPHENYL)PROP2ENAMIDE
CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)NC(=O)C=Cc1cn(nc1c1ccc(cc1)F)c1ccccc1
CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI=1SC30H29FN4O3Sc122651934(2022)39(3738)28161426(151728)3229(36)1811242135(277324827)3330(24)2391225(31)131023h247182122H561920H21H3(H3236)b1811+
MFCD03827632
ZINC000100825343
ZINC000100825349

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Available files

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