Vitas-M small molecule compound

3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-ethoxyphenyl)propanamide

Catalog ID
STK836484
SMILES CCOc1ccccc1NC(=O)CCN1C(=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/c1-2-27-16-6-4-3-5-15(16)23-20(25)9-10-24-21(26)19(31-22(24)30)12-14-7-8-17-18(11-14)29-13-28-17/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,25)/b19-12-
InChIKey
WPVNXTQRCGULBQ-UNOMPAQXSA-N
Synonyms
307542-16-1
(Z)3(5(benzo(d)(13)dioxol5ylmethylene)4oxo2thioxothiazolidin3yl)N(2ethoxyphenyl)propanamide
3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(2ETHOXYPHENYL)PROPANAMIDE
3((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)N(2ethoxyphenyl)propanamide
3(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(2ETHOXYPHENYL)PROPANAMIDE
307542161
CCOC1=CC=CC=C1NC(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
CCOc1ccccc1NC(=O)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC22H20N2O5S2c122716643515(16)2320(25)9102421(26)19(3122(24)30)1214781718(1114)29132817h381112H291013H21H3(H2325)b1912
MFCD01952209
ZINC000001213505
ZINC01213505
ZINC1213505

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.