Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
Catalog ID
STK093124
SMILES COc1ccc(cc1)Cc1nnc(s1)NC(=O)/C=C/c1ccc2c(c1)OCO2
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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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-25-15-6-2-14(3-7-15)11-19-22-23-20(28-19)21-18(24)9-5-13-4-8-16-17(10-13)27-12-26-16/h2-10H,11-12H2,1H3,(H,21,23,24)/b9-5+InChIKey
OFMURUFPIWLLLP-WEVVVXLNSA-NSynonyms
590399-34-1(2E)3(13BENZODIOXOL5YL)N(5(4METHOXYBENZYL)134THIADIAZOL2YL)PROP2ENAMIDE
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)N(5((4METHOXYPHENYL)METHYL)(134THIADIAZOL2YL))PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(5((4METHOXYPHENYL)METHYL)134THIADIAZOL2YL)PROP2ENAMIDE
590399341
COC1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C=CC3=CC4=C(C=C3)OCO4
COc1ccc(cc1)Cc1nnc(s1)NC(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC20H17N3O4Sc125156214(3715)1119222320(2819)2118(24)9513481617(1013)27122616h210H1112H21H3(H212324)b95+
MFCD03352032
STK093124
ZINC000004553358
ZINC04553358
ZINC4553358
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