Vitas-M small molecule compound
(2E)-N-{[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-(4-methoxyphenyl)prop-2-enamide
Catalog ID
STK248414
SMILES COc1ccc(cc1)/C=C/C(=O)NC(=S)Nc1cc(ccc1C)c1nc2c(s1)cccc2
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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 C25H21N3O2S2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O2S2/c1-16-7-11-18(24-26-20-5-3-4-6-22(20)32-24)15-21(16)27-25(31)28-23(29)14-10-17-8-12-19(30-2)13-9-17/h3-15H,1-2H3,(H2,27,28,29,31)/b14-10+InChIKey
LXGBJPLPESQFBX-GXDHUFHOSA-NSynonyms
(2E)N(((5BENZOTHIAZOL2YL2METHYLPHENYL)AMINO)THIOXOMETHYL)3(4METHOXYPHENYL)PROP2ENAMIDE
(2E)N((5(13BENZOTHIAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3(4METHOXYPHENYL)PROP2ENAMIDE
(E)N((5(13BENZOTHIAZOL2YL)2METHYLPHENYL)CARBAMOTHIOYL)3(4METHOXYPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C=CC4=CC=C(C=C4)OC
COc1ccc(cc1)C=CC(=O)NC(=S)Nc1cc(ccc1C)c1nc2c(s1)cccc2
InChI=1SC25H21N3O2S2c11671118(242620534622(20)3224)1521(16)2725(31)2823(29)14101781219(302)13917h315H12H3(H227282931)b1410+
MFCD03834890
ZINC000004090959
ZINC04090959
ZINC4090959
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