Vitas-M small molecule compound

(2E)-3-(5-bromo-2-methoxyphenyl)-N-{[(2E)-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene]carbamothioyl}prop-2-enamide

Catalog ID
STK852254
SMILES COc1ccc(cc1/C=C/C(=O)NC(=S)/N=c\1/scc([nH]1)c1ccc(cc1)C)Br

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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 C21H18BrN3O2S2 MW 488.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O2S2/c1-13-3-5-14(6-4-13)17-12-29-21(23-17)25-20(28)24-19(26)10-7-15-11-16(22)8-9-18(15)27-2/h3-12H,1-2H3,(H2,23,24,25,26,28)/b10-7+
InChIKey
QSFMGVCGQVAQOC-JXMROGBWSA-N
Synonyms
690982-90-2
(2E)3(5bromo2methoxyphenyl)N(((2E)4(4methylphenyl)13thiazol2(3H)ylidene)carbamothioyl)prop2enamide
(E)3(5BROMO2METHOXYPHENYL)N((4(4METHYLPHENYL)13THIAZOL2YL)CARBAMOTHIOYL)PROP2ENAMIDE
690982902
CC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C=CC3=C(C=CC(=C3)Br)OC
COc1ccc(cc1C=CC(=O)NC(=S)N=c1scc((nH)1)c1ccc(cc1)C)Br
InChI=1SC21H18BrN3O2S2c1133514(6413)17122921(2317)2520(28)2419(26)107151116(22)8918(15)272h312H12H3(H22324252628)b107+
MFCD07199176
ZINC000016957036
ZINC16957036

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Available files

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