Vitas-M small molecule compound

ethyl 2-{[(2E)-2-cyano-3-(4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK800107
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2c(Oc3ccccc3)nc3n(c2=O)cccc3)/C#N)sc2c1CCCC2

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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 C29H24N4O5S MW 540.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O5S/c1-2-37-29(36)24-20-12-6-7-13-22(20)39-27(24)32-25(34)18(17-30)16-21-26(38-19-10-4-3-5-11-19)31-23-14-8-9-15-33(23)28(21)35/h3-5,8-11,14-16H,2,6-7,12-13H2,1H3,(H,32,34)/b18-16+
InChIKey
NJNSRJGFEGSPHQ-FBMGVBCBSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)OC5=CC=CC=C5)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2c(Oc3ccccc3)nc3n(c2=O)cccc3)C#N)sc2c1CCCC2
ethyl2(((2E)2cyano3(4oxo2phenoxy4Hpyrido(12a)pyrimidin3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3(4oxo2phenoxypyrido(12a)pyrimidin3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H24N4O5Sc123729(36)242012671322(20)3927(24)3225(34)18(1730)162126(3819104351119)312314891533(23)28(21)35h358111416H2671213H21H3(H3234)b1816+
MFCD04447062
ZINC000097946702
ZINC97946702

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Available files

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