Vitas-M small molecule compound

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

Catalog ID
STK994301
SMILES O=C(Nc1ccc(cc1)Br)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 C20H15BrN2O4S2 MW 491.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O4S2/c21-13-2-4-14(5-3-13)22-18(24)7-8-23-19(25)17(29-20(23)28)10-12-1-6-15-16(9-12)27-11-26-15/h1-6,9-10H,7-8,11H2,(H,22,24)/b17-10-
InChIKey
XMJXKHRGVOUMHN-YVLHZVERSA-N
Synonyms

3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(4BROMOPHENYL)PROPANAMIDE
3((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)N(4bromophenyl)propanamide
3(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(4BROMOPHENYL)PROPANAMIDE
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)NC4=CC=C(C=C4)Br
InChI=1SC20H15BrN2O4S2c21132414(5313)2218(24)782319(25)17(2920(23)28)1012161516(912)27112615h16910H7811H2(H2224)b1710
MFCD02078542
O=C(Nc1ccc(cc1)Br)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ZINC000001237764
ZINC01237764
ZINC1237764

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Available files

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