Vitas-M small molecule compound
(2E)-3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
Catalog ID
STL168270
SMILES COc1ccc(cc1)NC(=O)/C(=C/c1cn(c2c1cccc2)CCOc1ccc(cc1)C(C)(C)C)/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 C31H31N3O3 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3/c1-31(2,3)24-9-13-27(14-10-24)37-18-17-34-21-23(28-7-5-6-8-29(28)34)19-22(20-32)30(35)33-25-11-15-26(36-4)16-12-25/h5-16,19,21H,17-18H2,1-4H3,(H,33,35)/b22-19+InChIKey
UJFBCZVWMOLBPT-ZBJSNUHESA-NSynonyms
(2E)3(1(2(4tertbutylphenoxy)ethyl)1Hindol3yl)2cyanoN(4methoxyphenyl)prop2enamide
(E)3(1(2(4TERTBUTYLPHENOXY)ETHYL)INDOL3YL)2CYANON(4METHOXYPHENYL)PROP2ENAMIDE
CC(C)(C)C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC=C(C=C4)OC
COc1ccc(cc1)NC(=O)C(=Cc1cn(c2c1cccc2)CCOc1ccc(cc1)C(C)(C)C)C#N
InChI=1SC31H31N3O3c131(23)2491327(141024)371817342123(28756829(28)34)1922(2032)30(35)3325111526(364)161225h5161921H1718H214H3(H3335)b2219+
MFCD02228982
ZINC000000813041
ZINC00813041
ZINC813041
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