Vitas-M small molecule compound
7-{[2-(3-methoxy-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
STL405659
SMILES COc1nn(cc1[N+](=O)[O-])C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)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 C18H19N7O7S3 MW 541.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O7S3/c1-7(23-4-10(25(30)31)14(22-23)32-3)13(26)19-11-15(27)24-12(17(28)29)9(5-33-16(11)24)6-34-18-21-20-8(2)35-18/h4,7,11,16H,5-6H2,1-3H3,(H,19,26)(H,28,29)InChIKey
MVYZRPJQMGMLRD-UHFFFAOYSA-NSynonyms
1214163-18-41214163184
7((2(3methoxy4nitro1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(3METHOXY4NITROPYRAZOL1YL)PROPANOYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C)N4C=C(C(=N4)OC)(N+)(=O)(O))SC2)C(=O)O
COc1nn(cc1(N+)(=O)(O))C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)C
InChI=1SC18H19N7O7S3c17(23410(25(30)31)14(2223)323)13(26)191115(27)2412(17(28)29)9(53316(11)24)6341821208(2)3518h471116H56H213H3(H1926)(H2829)
MFCD04140597
ZINC000097946072
ZINC000097946078
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.