Vitas-M small molecule compound
(2E)-2-cyano-3-{1-[4-(cyclopentylamino)-3-nitrophenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-N-(thiophen-2-ylmethyl)prop-2-enamide
Catalog ID
STK107907
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])NC1CCCC1)C)/C(=O)NCc1cccs1
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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 C26H27N5O3S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3S/c1-17-12-19(13-20(15-27)26(32)28-16-23-8-5-11-35-23)18(2)30(17)22-9-10-24(25(14-22)31(33)34)29-21-6-3-4-7-21/h5,8-14,21,29H,3-4,6-7,16H2,1-2H3,(H,28,32)/b20-13+InChIKey
YKPRUCHGYRHJLL-DEDYPNTBSA-NSynonyms
(2E)2CYANO3(1(4(CYCLOPENTYLAMINO)3NITROPHENYL)25DIMETHYL1HPYRROL3YL)N(THIOPHEN2YLMETHYL)PROP2ENAMIDE
(E)2CYANO3(1(4(CYCLOPENTYLAMINO)3NITROPHENYL)25DIMETHYLPYRROL3YL)N(THIOPHEN2YLMETHYL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC(=C(C=C2)NC3CCCC3)(N+)(=O)(O))C)C=C(C#N)C(=O)NCC4=CC=CS4
InChI=1SC26H27N5O3Sc1171219(1320(1527)26(32)28162385113523)18(2)30(17)2291024(25(1422)31(33)34)2921634721h58142129H346716H212H3(H2832)b2013+
MFCD02197948
N#CC(=Cc1cc(n(c1C)c1ccc(c(c1)(N+)(=O)(O))NC1CCCC1)C)C(=O)NCc1cccs1
ZINC000009763034
ZINC09763034
ZINC9763034
Check stock
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