Vitas-M small molecule compound
7-{[(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]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
STL403069
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1nn(c(c1[N+](=O)[O-])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 C17H17N7O6S3 MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O6S3/c1-6-11(24(29)30)9(21-22(6)3)13(25)18-10-14(26)23-12(16(27)28)8(4-31-15(10)23)5-32-17-20-19-7(2)33-17/h10,15H,4-5H2,1-3H3,(H,18,25)(H,27,28)InChIKey
WYPCPIYDDGHYMF-UHFFFAOYSA-NSynonyms
1214657-08-51214657085
7(((15dimethyl4nitro1Hpyrazol3yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((15DIMETHYL4NITROPYRAZOLE3CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)(N+)(=O)(O)
Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1nn(c(c1(N+)(=O)(O))C)C
InChI=1SC17H17N7O6S3c1611(24(29)30)9(2122(6)3)13(25)181014(26)2312(16(27)28)8(43115(10)23)5321720197(2)3317h1015H45H213H3(H1825)(H2728)
MFCD04048909
ZINC000009201545
ZINC000009201565
Check stock
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Check stock on Vitas-MAvailable files
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