Vitas-M small molecule compound
4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)butanamide
Catalog ID
STL035848
SMILES COc1ccc(cc1)NC(=O)CCCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O
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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 C22H20N2O5S2 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S2/c1-27-16-7-5-15(6-8-16)23-20(25)3-2-10-24-21(26)19(31-22(24)30)12-14-4-9-17-18(11-14)29-13-28-17/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,25)/b19-12+InChIKey
GOMSIFLCFBCUGX-XDHOZWIPSA-NSynonyms
4((5E)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(4METHOXYPHENYL)BUTANAMIDE
4((5E)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)N(4methoxyphenyl)butanamide
COC1=CC=C(C=C1)NC(=O)CCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
COc1ccc(cc1)NC(=O)CCCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC22H20N2O5S2c127167515(6816)2320(25)32102421(26)19(3122(24)30)1214491718(1114)29132817h491112H231013H21H3(H2325)b1912+
MFCD18192182
ZINC000027530502
ZINC27530502
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