Vitas-M small molecule compound
(2E)-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Catalog ID
STK185221
SMILES COc1ccc(cc1)n1c(C)cc(c1C)/C=C(/C(=O)N1CCN(CC1)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 C27H28N4O2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2/c1-20-17-22(21(2)31(20)25-9-11-26(33-3)12-10-25)18-23(19-28)27(32)30-15-13-29(14-16-30)24-7-5-4-6-8-24/h4-12,17-18H,13-16H2,1-3H3/b23-18+InChIKey
ZRGDENLOXRWXJS-PTGBLXJZSA-NSynonyms
(2E)3(1(4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)2((4PHENYLPIPERAZIN1YL)CARBONYL)PROP2ENENITRILE
(E)3(1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)2(4PHENYLPIPERAZINE1CARBONYL)PROP2ENENITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4
COc1ccc(cc1)n1c(C)cc(c1C)C=C(C(=O)N1CCN(CC1)c1ccccc1)C#N
InChI=1SC27H28N4O2c1201722(21(2)31(20)2591126(333)121025)1823(1928)27(32)30151329(141630)247546824h4121718H1316H213H3b2318+
MFCD03729640
ZINC000009259129
ZINC09259129
ZINC9259129
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