Vitas-M small molecule compound

2-(diethylamino)ethyl 4-({(Z)-2-cyano-2-[4-(naphthalen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate

Catalog ID
STL006960
SMILES CCN(CCOC(=O)c1ccc(cc1)N/C=C(\c1scc(n1)c1ccc2c(c1)cccc2)/C#N)CC

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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 C29H28N4O2S MW 496.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O2S/c1-3-33(4-2)15-16-35-29(34)22-11-13-26(14-12-22)31-19-25(18-30)28-32-27(20-36-28)24-10-9-21-7-5-6-8-23(21)17-24/h5-14,17,19-20,31H,3-4,15-16H2,1-2H3/b25-19-
InChIKey
ITWOAPFWNJERLM-PLRJNAJWSA-N
Synonyms
796878-08-5
(Z)2(diethylamino)ethyl4((2cyano2(4(naphthalen2yl)thiazol2yl)vinyl)amino)benzoate
2(diethylamino)ethyl4(((Z)2cyano2(4(naphthalen2yl)13thiazol2yl)ethenyl)amino)benzoate
2(diethylamino)ethyl4(((Z)2cyano2(4naphthalen2yl13thiazol2yl)ethenyl)amino)benzoate
2DIETHYLAMINOETHYL4(((Z)2CYANO2(4NAPHTHALEN2YL13THIAZOL2YL)ETHENYL)AMINO)BENZOATE
796878085
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4C=C3
CCN(CCOC(=O)c1ccc(cc1)NC=C(c1scc(n1)c1ccc2c(c1)cccc2)C#N)CC
InChI=1SC29H28N4O2Sc1333(42)15163529(34)22111326(141222)311925(1830)283227(203628)2410921756823(21)1724h51417192031H341516H212H3b2519
MFCD03669463
ZINC000002200318
ZINC2200318

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Available files

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