Vitas-M small molecule compound
(2E)-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide
Catalog ID
STK209691
SMILES CCCCc1ccc2c(c1)sc(n2)NC(=S)NC(=O)/C=C/c1ccccc1
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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 C21H21N3OS2 MW 395.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3OS2/c1-2-3-7-16-10-12-17-18(14-16)27-21(22-17)24-20(26)23-19(25)13-11-15-8-5-4-6-9-15/h4-6,8-14H,2-3,7H2,1H3,(H2,22,23,24,25,26)/b13-11+InChIKey
JFBIVOXVSQCSJT-ACCUITESSA-NSynonyms
(2E)N((6BUTYL13BENZOTHIAZOL2YL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
(E)N((6BUTYL13BENZOTHIAZOL2YL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C=CC3=CC=CC=C3
CCCCc1ccc2c(c1)sc(n2)NC(=S)NC(=O)C=Cc1ccccc1
InChI=1SC21H21N3OS2c12371610121718(1416)2721(2217)2420(26)2319(25)1311158546915h46814H237H21H3(H22223242526)b1311+
MFCD03925301
ZINC000001839898
ZINC01839898
ZINC1839898
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