Vitas-M small molecule compound

N-(5-{[1-butyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}-1,3,4-thiadiazol-2-yl)acetamide

Catalog ID
STK786903
SMILES CCCCn1c(=O)[nH]c(=O)c2c1NC(=O)C2(NS(=O)(=O)c1nnc(s1)NC(=O)C)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 C15H16F3N7O6S2 MW 511.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16F3N7O6S2/c1-3-4-5-25-8-7(9(27)21-12(25)29)14(10(28)20-8,15(16,17)18)24-33(30,31)13-23-22-11(32-13)19-6(2)26/h24H,3-5H2,1-2H3,(H,20,28)(H,19,22,26)(H,21,27,29)
InChIKey
FQWOLXBGBDRSPZ-UHFFFAOYSA-N
Synonyms

CCCCn1c(=O)(nH)c(=O)c2c1NC(=O)C2(NS(=O)(=O)c1nnc(s1)NC(=O)C)C(F)(F)F
CCCCN1C2=C(C(=O)NC1=O)C(C(=O)N2)(C(F)(F)F)NS(=O)(=O)C3=NN=C(S3)NC(=O)C
InChI=1SC15H16F3N7O6S2c13452587(9(27)2112(25)29)14(10(28)20815(1617)18)2433(3031)13232211(3213)196(2)26h24H35H212H3(H2028)(H192226)(H212729)
MFCD06177150
N(5((1butyl246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)sulfamoyl)134thiadiazol2yl)acetamide
N(5((1BUTYL246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)SULFAMOYL)134THIADIAZOL2YL)ACETAMIDE
ZINC000012411021
ZINC000012411023

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Available files

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