Vitas-M small molecule compound

ethyl (5Z)-5-{(2Z)-3-amino-2-cyano-3-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-ylidene}-2-methyl-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STL324650
SMILES OCCN1CCN(CC1)/C(=C(/C=C/1\SC(=C(C1=O)C(=O)OCC)C)\C#N)/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 C18H24N4O4S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N4O4S/c1-3-26-18(25)15-12(2)27-14(16(15)24)10-13(11-19)17(20)22-6-4-21(5-7-22)8-9-23/h10,23H,3-9,20H2,1-2H3/b14-10-,17-13-
InChIKey
KOHVLMJRJIALHV-YEJJPGKBSA-N
Synonyms

CCOC(=O)C1=C(SC(=CC(=C(N)N2CCN(CC2)CCO)C#N)C1=O)C
ethyl(5Z)5((2Z)3amino2cyano3(4(2hydroxyethyl)piperazin1yl)prop2en1ylidene)2methyl4oxo45dihydrothiophene3carboxylate
ethyl(5Z)5((Z)3amino2cyano3(4(2hydroxyethyl)piperazin1yl)prop2enylidene)2methyl4oxothiophene3carboxylate
InChI=1SC18H24N4O4Sc132618(25)1512(2)2714(16(15)24)1013(1119)17(20)226421(5722)8923h1023H3920H212H3b14101713
MFCD28030832
OCCN1CCN(CC1)C(=C(C=C1SC(=C(C1=O)C(=O)OCC)C)C#N)N
ZINC000020826952
ZINC20826952

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Available files

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