Vitas-M small molecule compound
(2E)-N-[5-(3-chloro-4-methylbenzyl)-1,3-thiazol-2-yl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide
Catalog ID
STL017049
SMILES N#C/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)Nc1ncc(s1)Cc1ccc(c(c1)Cl)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 C21H15ClN4O3S MW 438.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O3S/c1-13-5-6-15(10-19(13)22)9-18-12-24-21(30-18)25-20(27)16(11-23)7-14-3-2-4-17(8-14)26(28)29/h2-8,10,12H,9H2,1H3,(H,24,25,27)/b16-7+InChIKey
DZFJBFXDFIFMRX-FRKPEAEDSA-NSynonyms
(2E)N(5((3CHLORO4METHYLPHENYL)METHYL)(13THIAZOL2YL))2CYANO3(3NITROPHENYL)PROP2ENAMIDE
(2E)N(5(3chloro4methylbenzyl)13thiazol2yl)2cyano3(3nitrophenyl)prop2enamide
(E)N(5((3chloro4methylphenyl)methyl)13thiazol2yl)2cyano3(3nitrophenyl)prop2enamide
CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))C#N)Cl
InChI=1SC21H15ClN4O3Sc1135615(1019(13)22)918122421(3018)2520(27)16(1123)71432417(814)26(28)29h281012H9H21H3(H242527)b167+
MFCD02979617
N#CC(=Cc1cccc(c1)(N+)(=O)(O))C(=O)Nc1ncc(s1)Cc1ccc(c(c1)Cl)C
ZINC000000954325
ZINC00954325
ZINC954325
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