Vitas-M small molecule compound
(2E)-2-cyano-3-{1-[4-(cyclohexylamino)-3-nitrophenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-N-(thiophen-2-ylmethyl)prop-2-enamide
Catalog ID
STK100820
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1)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 C27H29N5O3S MW 503.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3S/c1-18-13-20(14-21(16-28)27(33)29-17-24-9-6-12-36-24)19(2)31(18)23-10-11-25(26(15-23)32(34)35)30-22-7-4-3-5-8-22/h6,9-15,22,30H,3-5,7-8,17H2,1-2H3,(H,29,33)/b21-14+InChIKey
JSLCCATUTJEXQE-KGENOOAVSA-NSynonyms
(2E)2CYANO3(1(4(CYCLOHEXYLAMINO)3NITROPHENYL)25DIMETHYL1HPYRROL3YL)N(THIOPHEN2YLMETHYL)PROP2ENAMIDE
(E)2CYANO3(1(4(CYCLOHEXYLAMINO)3NITROPHENYL)25DIMETHYLPYRROL3YL)N(THIOPHEN2YLMETHYL)PROP2ENAMIDE
CC1=CC(=C(N1C2=CC(=C(C=C2)NC3CCCCC3)(N+)(=O)(O))C)C=C(C#N)C(=O)NCC4=CC=CS4
InChI=1SC27H29N5O3Sc1181320(1421(1628)27(33)29172496123624)19(2)31(18)23101125(26(1523)32(34)35)30227435822h69152230H357817H212H3(H2933)b2114+
MFCD02197947
N#CC(=Cc1cc(n(c1C)c1ccc(c(c1)(N+)(=O)(O))NC1CCCCC1)C)C(=O)NCc1cccs1
ZINC000009836733
ZINC09836733
ZINC9836733
Check stock
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