Vitas-M small molecule compound

2-{3-[(Z)-(1-cyclohexyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK326612
SMILES N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=O)N(C1=O)C1CCCCC1

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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 C26H28N4O3S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S/c1-15-12-17(16(2)29(15)25-21(14-27)19-10-6-7-11-22(19)34-25)13-20-23(31)28-26(33)30(24(20)32)18-8-4-3-5-9-18/h12-13,18H,3-11H2,1-2H3,(H,28,31,33)/b20-13-
InChIKey
CUWPIFQRBOJKPL-MOSHPQCFSA-N
Synonyms

2(3((Z)(1cyclohexyl246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
2(3((Z)(1cyclohexyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)25dimethyl1Hpyrrol1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C4C(=O)NC(=O)N(C4=O)C5CCCCC5
InChI=1SC26H28N4O3Sc1151217(16(2)29(15)2521(1427)1910671122(19)3425)132023(31)2826(33)30(24(20)32)188435918h121318H311H212H3(H283133)b2013
MFCD03306200
N#Cc1c(sc2c1CCCC2)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)C1CCCCC1
ZINC000018190208
ZINC18190208

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Available files

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