Vitas-M small molecule compound

(2E)-N-{[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl}-3-(furan-2-yl)prop-2-enamide

Catalog ID
STK137223
SMILES COc1ccc(cc1NC(=S)NC(=O)/C=C/c1ccco1)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 C22H17N3O3S2 MW 435.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3S2/c1-27-18-10-8-14(21-23-16-6-2-3-7-19(16)30-21)13-17(18)24-22(29)25-20(26)11-9-15-5-4-12-28-15/h2-13H,1H3,(H2,24,25,26,29)/b11-9+
InChIKey
KFQWIUITCWQYES-PKNBQFBNSA-N
Synonyms

(2E)N((5(13BENZOTHIAZOL2YL)2METHOXYPHENYL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
(E)N((5(13BENZOTHIAZOL2YL)2METHOXYPHENYL)CARBAMOTHIOYL)3(FURAN2YL)PROP2ENAMIDE
COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C=CC4=CC=CO4
COc1ccc(cc1NC(=S)NC(=O)C=Cc1ccco1)c1nc2c(s1)cccc2
InChI=1SC22H17N3O3S2c1271810814(212316623719(16)3021)1317(18)2422(29)2520(26)1191554122815h213H1H3(H224252629)b119+
MFCD03909696
ZINC000006297326
ZINC06297326
ZINC6297326

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Available files

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