Vitas-M small molecule compound

(2E)-3-[(3,4-dimethylphenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Catalog ID
STK833886
SMILES N#C/C(=C\Nc1ccc(c(c1)C)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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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 C20H16N4O2S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O2S/c1-13-6-7-17(8-14(13)2)22-11-16(10-21)20-23-19(12-27-20)15-4-3-5-18(9-15)24(25)26/h3-9,11-12,22H,1-2H3/b16-11+
InChIKey
CRPPQAIGCFSNBD-LFIBNONCSA-N
Synonyms
373374-72-2
(2E)3((34dimethylphenyl)amino)2(4(3nitrophenyl)13thiazol2yl)prop2enenitrile
(E)3((34dimethylphenyl)amino)2(4(3nitrophenyl)thiazol2yl)acrylonitrile
(E)3(34DIMETHYLANILINO)2(4(3NITROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
373374722
CC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC20H16N4O2Sc1136717(814(13)2)221116(1021)202319(122720)1543518(915)24(25)26h39111222H12H3b1611+
MFCD01946353
N#CC(=CNc1ccc(c(c1)C)C)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
ZINC000004805487
ZINC04805487
ZINC4805487

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Available files

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