Vitas-M small molecule compound

(2E)-3-(furan-2-yl)-N-{[2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}prop-2-enamide

Catalog ID
STK053027
SMILES S=C(Nc1ccc2c(c1)nn(n2)c1ccc(cc1)C)NC(=O)/C=C/c1ccco1

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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 C21H17N5O2S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O2S/c1-14-4-7-16(8-5-14)26-24-18-10-6-15(13-19(18)25-26)22-21(29)23-20(27)11-9-17-3-2-12-28-17/h2-13H,1H3,(H2,22,23,27,29)/b11-9+
InChIKey
PIACARLBZQHJRZ-PKNBQFBNSA-N
Synonyms

(2E)3(FURAN2YL)N((2(4METHYLPHENYL)2HBENZOTRIAZOL5YL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(2FURANYL)N(((2(4METHYLPHENYL)5BENZOTRIAZOLYL)AMINO)SULFANYLIDENEMETHYL)2PROPENAMIDE
(E)3(2FURYL)N((2(PTOLYL)BENZOTRIAZOL5YL)THIOCARBAMOYL)ACRYLAMIDE
(E)3(FURAN2YL)N((2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)PROP2ENAMIDE
3(2FURYL)N(((2(4METHYLPHENYL)2H123BENZOTRIAZOL5YL)AMINO)CARBONOTHIOYL)ACRYLAMIDE
CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C=CC4=CC=CO4
InChI=1SC21H17N5O2Sc1144716(8514)26241810615(1319(18)2526)2221(29)2320(27)1191732122817h213H1H3(H222232729)b119+
MFCD03109732
S=C(Nc1ccc2c(c1)nn(n2)c1ccc(cc1)C)NC(=O)C=Cc1ccco1
STK053027
ZINC000001179540
ZINC01179540
ZINC1179540

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.