Vitas-M small molecule compound
7-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]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
STK308756
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1nc(c(c1C)[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/c1-7-13(25(30)31)8(2)23(22-7)4-11(26)19-12-15(27)24-14(17(28)29)10(5-32-16(12)24)6-33-18-21-20-9(3)34-18/h12,16H,4-6H2,1-3H3,(H,19,26)(H,28,29)InChIKey
VORYQWIADWNBDY-UHFFFAOYSA-NSynonyms
1214674-45-91214674459
7(((35dimethyl4nitro1Hpyrazol1yl)acetyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(35DIMETHYL4NITROPYRAZOL1YL)ACETYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C)(N+)(=O)(O)
Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC18H19N7O6S3c1713(25(30)31)8(2)23(227)411(26)191215(27)2414(17(28)29)10(53216(12)24)6331821209(3)3418h1216H46H213H3(H1926)(H2829)
MFCD04132644
ZINC000097945387
ZINC000097945390
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.