Vitas-M small molecule compound
ethyl 2-[({2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK456593
SMILES CCOC(=O)c1c(NC(=S)NNC(=O)C(Oc2ccc3c(c2)OCO3)C)sc(c1c1ccccc1)C
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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 C25H25N3O6S2 MW 527.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O6S2/c1-4-31-24(30)21-20(16-8-6-5-7-9-16)15(3)36-23(21)26-25(35)28-27-22(29)14(2)34-17-10-11-18-19(12-17)33-13-32-18/h5-12,14H,4,13H2,1-3H3,(H,27,29)(H2,26,28,35)InChIKey
JTZSEGZPYYCCFH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C(C)OC3=CC4=C(C=C3)OCO4
ETHYL2((((2(2HBENZO(34D)13DIOXOLEN5YLOXY)PROPANOYLAMINO)AMINO)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2(((2((2R)2(13BENZODIOXOL5YLOXY)PROPANOYL)HYDRAZINYL)CARBOTHIOYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
ethyl2(((2(2(13benzodioxol5yloxy)propanoyl)hydrazinyl)carbonothioyl)amino)5methyl4phenylthiophene3carboxylate
ETHYL2((2(13BENZODIOXOL5YLOXY)PROPANOYLAMINO)CARBAMOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC25H25N3O6S2c143124(30)2120(168657916)15(3)3623(21)2625(35)282722(29)14(2)341710111819(1217)33133218h51214H413H213H3(H2729)(H2262835)
MFCD05072676
ZINC000002855921
ZINC000002855922
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