Vitas-M small molecule compound
(2E)-N-[(2Z)-5-(3,4-dimethoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-phenylprop-2-enamide
Catalog ID
STL042410
SMILES COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)/C=C/c2ccccc2)/s1
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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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c1-25-16-10-8-15(12-17(16)26-2)13-19-22-23-20(27-19)21-18(24)11-9-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,21,23,24)/b11-9+InChIKey
YWDFJMMIKLIDMM-PKNBQFBNSA-NSynonyms
600148-47-8(2E)N((2Z)5(34dimethoxybenzyl)134thiadiazol2(3H)ylidene)3phenylprop2enamide
(E)N(5((34DIMETHOXYPHENYL)METHYL)134THIADIAZOL2YL)3PHENYLPROP2ENAMIDE
600148478
COC1=C(C=C(C=C1)CC2=NN=C(S2)NC(=O)C=CC3=CC=CC=C3)OC
COc1cc(ccc1OC)Cc1n(nH)c(=NC(=O)C=Cc2ccccc2)s1
InChI=1SC20H19N3O3Sc1251610815(1217(16)262)1319222320(2719)2118(24)119146435714h312H13H212H3(H212324)b119+
MFCD05731311
ZINC000002454245
ZINC02454245
ZINC2454245
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