Vitas-M small molecule compound

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

Catalog ID
STK561755
SMILES CCOC(=O)C(C(F)(F)F)(c1ccc(cc1)F)NC(=O)Nc1ccc(cc1)S(=O)(=O)/N=c\1/[nH]nc(s1)SCC

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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 C22H21F4N5O5S3 MW 607.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F4N5O5S3/c1-3-36-17(32)21(22(24,25)26,13-5-7-14(23)8-6-13)28-18(33)27-15-9-11-16(12-10-15)39(34,35)31-19-29-30-20(38-19)37-4-2/h5-12H,3-4H2,1-2H3,(H,29,31)(H2,27,28,33)
InChIKey
ARWXICZZIKCYDJ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(C(F)(F)F)(c1ccc(cc1)F)NC(=O)Nc1ccc(cc1)S(=O)(=O)N=c1(nH)nc(s1)SCC
CCOC(=O)C(C1=CC=C(C=C1)F)(C(F)(F)F)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(S3)SCC
ETHYL2((4((5ETHYLSULFANYL134THIADIAZOL2YL)SULFAMOYL)PHENYL)CARBAMOYLAMINO)333TRIFLUORO2(4FLUOROPHENYL)PROPANOATE
ethylN((4(((2Z)5(ethylsulfanyl)134thiadiazol2(3H)ylidene)sulfamoyl)phenyl)carbamoyl)333trifluoro2(4fluorophenyl)alaninate
InChI=1SC22H21F4N5O5S3c133617(32)21(22(2425)26135714(23)8613)2818(33)271591116(121015)39(3435)3119293020(3819)3742h512H34H212H3(H2931)(H2272833)
MFCD04074317
ZINC000097966921
ZINC000097966922

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Available files

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