Vitas-M small molecule compound

ethyl N-[(4-{[(2E)-5-(ethylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]sulfamoyl}phenyl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate

Catalog ID
STL046528
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]nc(s1)SCC)OCC(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 C18H19F6N5O6S3 MW 611.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F6N5O6S3/c1-3-34-12(30)17(18(22,23)24,35-9-16(19,20)21)26-13(31)25-10-5-7-11(8-6-10)38(32,33)29-14-27-28-15(37-14)36-4-2/h5-8H,3-4,9H2,1-2H3,(H,27,29)(H2,25,26,31)
InChIKey
GGRIYVFNNRBOPN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)SCC)OCC(F)(F)F
CCOC(=O)C(C(F)(F)F)(NC(=O)Nc1ccc(cc1)S(=O)(=O)N=c1(nH)nc(s1)SCC)OCC(F)(F)F
ETHYL2((4((5ETHYLSULFANYL134THIADIAZOL2YL)SULFAMOYL)PHENYL)CARBAMOYLAMINO)333TRIFLUORO2(222TRIFLUOROETHOXY)PROPANOATE
ethylN((4(((2E)5(ethylsulfanyl)134thiadiazol2(3H)ylidene)sulfamoyl)phenyl)carbamoyl)333trifluoro2(222trifluoroethoxy)alaninate
InChI=1SC18H19F6N5O6S3c133412(30)17(18(2223)2435916(1920)21)2613(31)25105711(8610)38(3233)2914272815(3714)3642h58H349H212H3(H2729)(H2252631)
MFCD04079403
ZINC000003991800
ZINC000003991801

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Available files

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