Vitas-M small molecule compound

N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(morpholin-4-ylsulfonyl)benzamide

Catalog ID
STK807602
SMILES Fc1ccc(cc1)C(=O)CSc1nnc(s1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1

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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 C21H19FN4O5S3 MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O5S3/c22-16-6-4-14(5-7-16)18(27)13-32-21-25-24-20(33-21)23-19(28)15-2-1-3-17(12-15)34(29,30)26-8-10-31-11-9-26/h1-7,12H,8-11,13H2,(H,23,24,28)
InChIKey
PQSJTGDXRIEEKS-UHFFFAOYSA-N
Synonyms

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)C4=CC=C(C=C4)F
InChI=1SC21H19FN4O5S3c22166414(5716)18(27)133221252420(3321)2319(28)1521317(1215)34(2930)268103111926h1712H81113H2(H232428)
MFCD04445569
N(5((2(4fluorophenyl)2oxoethyl)sulfanyl)134thiadiazol2yl)3(morpholin4ylsulfonyl)benzamide
N(5(2(4FLUOROPHENYL)2OXOETHYL)SULFANYL134THIADIAZOL2YL)3MORPHOLIN4YLSULFONYLBENZAMIDE
N(5(2(4FLUOROPHENYL)2OXOETHYLTHIO)(134THIADIAZOL2YL))(3(MORPHOLIN4YLSULFONYL)PHENYL)CARBOXAMIDE
ZINC000059608564
ZINC59608564

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Available files

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