Vitas-M small molecule compound
(2E)-3-(3,4-dimethoxyphenyl)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}prop-2-enamide
Catalog ID
STK806947
SMILES COc1cc(/C=C/C(=O)Nc2nnc(s2)SCC(=O)c2ccccc2)ccc1OC
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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 C21H19N3O4S2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S2/c1-27-17-10-8-14(12-18(17)28-2)9-11-19(26)22-20-23-24-21(30-20)29-13-16(25)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,23,26)/b11-9+InChIKey
VHCRFSJQVYUNBF-PKNBQFBNSA-NSynonyms
(2E)3(34dimethoxyphenyl)N(5((2oxo2phenylethyl)sulfanyl)134thiadiazol2yl)prop2enamide
(2E)3(34DIMETHOXYPHENYL)N(5(2OXO2PHENYLETHYLTHIO)(134THIADIAZOL2YL))PROP2ENAMIDE
(E)3(34DIMETHOXYPHENYL)N(5PHENACYLSULFANYL134THIADIAZOL2YL)PROP2ENAMIDE
COC1=C(C=C(C=C1)C=CC(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)OC
COc1cc(C=CC(=O)Nc2nnc(s2)SCC(=O)c2ccccc2)ccc1OC
InChI=1SC21H19N3O4S2c1271710814(1218(17)282)91119(26)2220232421(3020)291316(25)156435715h312H13H212H3(H222326)b119+
MFCD03621383
ZINC000001123532
ZINC01123532
ZINC1123532
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