Vitas-M small molecule compound

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

Catalog ID
STK898566
SMILES N#C/C(=C\c1ccccc1[N+](=O)[O-])/c1scc(n1)c1ccc(c(c1)C)C

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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 C20H15N3O2S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O2S/c1-13-7-8-15(9-14(13)2)18-12-26-20(22-18)17(11-21)10-16-5-3-4-6-19(16)23(24)25/h3-10,12H,1-2H3/b17-10+
InChIKey
TUYLYVKZIHXVSZ-LICLKQGHSA-N
Synonyms

(2E)2(4(34dimethylphenyl)13thiazol2yl)3(2nitrophenyl)prop2enenitrile
(E)2(4(34dimethylphenyl)13thiazol2yl)3(2nitrophenyl)prop2enenitrile
CC1=C(C=C(C=C1)C2=CSC(=N2)C(=CC3=CC=CC=C3(N+)(=O)(O))C#N)C
InChI=1SC20H15N3O2Sc1137815(914(13)2)18122620(2218)17(1121)1016534619(16)23(24)25h31012H12H3b1710+
MFCD18173069
N#CC(=Cc1ccccc1(N+)(=O)(O))c1scc(n1)c1ccc(c(c1)C)C
ZINC000006205789
ZINC06205789
ZINC6205789

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Available files

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