Vitas-M small molecule compound

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

Catalog ID
STK836302
SMILES O=C(Nc1ccc(cc1)C)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 C21H18N2O4S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S2/c1-13-2-5-15(6-3-13)22-19(24)8-9-23-20(25)18(29-21(23)28)11-14-4-7-16-17(10-14)27-12-26-16/h2-7,10-11H,8-9,12H2,1H3,(H,22,24)/b18-11-
InChIKey
ZPYFVSXRUMBRHG-WQRHYEAKSA-N
Synonyms
307542-12-7
(Z)3(5(benzo(d)(13)dioxol5ylmethylene)4oxo2thioxothiazolidin3yl)N(ptolyl)propanamide
3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(4METHYLPHENYL)PROPANAMIDE
3((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)N(4methylphenyl)propanamide
3(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(4METHYLPHENYL)PROPANAMIDE
307542127
CC1=CC=C(C=C1)NC(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
InChI=1SC21H18N2O4S2c1132515(6313)2219(24)892320(25)18(2921(23)28)1114471617(1014)27122616h271011H8912H21H3(H2224)b1811
MFCD01950008
O=C(Nc1ccc(cc1)C)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000001237744
ZINC01237744
ZINC1237744

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Available files

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