Vitas-M small molecule compound

(2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide

Catalog ID
STK904658
SMILES COCCCNC(=O)/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)/C#N

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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 C29H33N5O4S MW 547.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O4S/c1-38-18-10-15-31-29(35)24(21-30)19-25-22-34(26-12-5-4-6-13-26)32-28(25)23-11-9-14-27(20-23)39(36,37)33-16-7-2-3-8-17-33/h4-6,9,11-14,19-20,22H,2-3,7-8,10,15-18H2,1H3,(H,31,35)/b24-19+
InChIKey
KTCQUVYKMLAMMB-LYBHJNIJSA-N
Synonyms
1009191-35-8
(2E)3(3(3(azepan1ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2cyanoN(3methoxypropyl)prop2enamide
(E)3(3(3(azepan1ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2cyanoN(3methoxypropyl)acrylamide
(E)3(3(3(AZEPAN1YLSULFONYL)PHENYL)1PHENYLPYRAZOL4YL)2CYANON(3METHOXYPROPYL)PROP2ENAMIDE
1009191358
COCCCNC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4)C#N
COCCCNC(=O)C(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)C#N
InChI=1SC29H33N5O4Sc1381810153129(35)24(2130)19252234(26125461326)3228(25)231191427(2023)39(3637)331672381733h4691114192022H2378101518H21H3(H3135)b2419+
MFCD04162118
ZINC000101102795
ZINC101102795

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Available files

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