Vitas-M small molecule compound
7-{[2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405697
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1cc(c(n1)C)[N+](=O)[O-])C
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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 C18H19N7O6S3 MW 525.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O6S3/c1-7-11(25(30)31)4-23(22-7)8(2)14(26)19-12-15(27)24-13(17(28)29)10(5-32-16(12)24)6-33-18-21-20-9(3)34-18/h4,8,12,16H,5-6H2,1-3H3,(H,19,26)(H,28,29)InChIKey
OWQNYZUPOBFFRE-UHFFFAOYSA-NSynonyms
1097183-84-01097183840
7((2(3methyl4nitro1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(3METHYL4NITROPYRAZOL1YL)PROPANOYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1(N+)(=O)(O))C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O
Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1cc(c(n1)C)(N+)(=O)(O))C
InChI=1SC18H19N7O6S3c1711(25(30)31)423(227)8(2)14(26)191215(27)2413(17(28)29)10(53216(12)24)6331821209(3)3418h481216H56H213H3(H1926)(H2829)
MFCD04045886
ZINC000097945407
ZINC000169682052
Check stock
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Check stock on Vitas-MAvailable files
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