Vitas-M small molecule compound

1-[3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea

Catalog ID
STL323721
SMILES O=C(N(C1N(Cc2ccc3c(c2)OCO3)C(=S)SC1(C)C)O)Nc1cccc(c1)C(F)(F)F

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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 C21H20F3N3O4S2 MW 499.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3O4S2/c1-20(2)17(27(29)18(28)25-14-5-3-4-13(9-14)21(22,23)24)26(19(32)33-20)10-12-6-7-15-16(8-12)31-11-30-15/h3-9,17,29H,10-11H2,1-2H3,(H,25,28)
InChIKey
GHJUPZCBWKUUJI-UHFFFAOYSA-N
Synonyms
370074-87-6
1(3(13BENZODIOXOL5YLMETHYL)55DIMETHYL2SULFANYLIDENE13THIAZOLIDIN4YL)1HYDROXY3(3(TRIFLUOROMETHYL)PHENYL)UREA
1(3(13benzodioxol5ylmethyl)55dimethyl2thioxo13thiazolidin4yl)1hydroxy3(3(trifluoromethyl)phenyl)urea
1(3(benzo(d)(13)dioxol5ylmethyl)55dimethyl2thioxothiazolidin4yl)1hydroxy3(3(trifluoromethyl)phenyl)urea
370074876
CC1(C(N(C(=S)S1)CC2=CC3=C(C=C2)OCO3)N(C(=O)NC4=CC=CC(=C4)C(F)(F)F)O)C
InChI=1SC21H20F3N3O4S2c120(2)17(27(29)18(28)251453413(914)21(2223)24)26(19(32)3320)1012671516(812)31113015h391729H1011H212H3(H2528)
MFCD01090916
ZINC000008934385
ZINC000008934560

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Available files

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