Vitas-M small molecule compound

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-carboxamide

Catalog ID
STK800108
SMILES N#C/C(=C\c1c(Oc2ccccc2)nc2n(c1=O)cccc2)/C(=O)Nc1sc2c(c1C(=O)N)CCCC2

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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 C27H21N5O4S MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O4S/c28-15-16(24(34)31-26-22(23(29)33)18-10-4-5-11-20(18)37-26)14-19-25(36-17-8-2-1-3-9-17)30-21-12-6-7-13-32(21)27(19)35/h1-3,6-9,12-14H,4-5,10-11H2,(H2,29,33)(H,31,34)/b16-14+
InChIKey
DNZSLXJGXGCLIK-JQIJEIRASA-N
Synonyms

2(((2E)2cyano3(4oxo2phenoxy4Hpyrido(12a)pyrimidin3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(((E)2cyano3(4oxo2phenoxypyrido(12a)pyrimidin3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)OC5=CC=CC=C5)C#N)C(=O)N
InChI=1SC27H21N5O4Sc281516(24(34)312622(23(29)33)1810451120(18)3726)141925(36178213917)302112671332(21)27(19)35h13691214H451011H2(H22933)(H3134)b1614+
MFCD04447063
N#CC(=Cc1c(Oc2ccccc2)nc2n(c1=O)cccc2)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000016735482
ZINC16735482

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Available files

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