Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-{[2-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405682
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1ncc(c1)[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 C17H17N7O6S3 MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O6S3/c1-7(22-4-10(3-18-22)24(29)30)13(25)19-11-14(26)23-12(16(27)28)9(5-31-15(11)23)6-32-17-21-20-8(2)33-17/h3-4,7,11,15H,5-6H2,1-2H3,(H,19,25)(H,27,28)InChIKey
UKUJRDHWNBDZFT-UHFFFAOYSA-NSynonyms
1214691-78-71214691787
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)7((2(4nitro1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)7(2(4NITROPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C(C)N4C=C(C=N4)(N+)(=O)(O))SC2)C(=O)O
Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1ncc(c1)(N+)(=O)(O))C
InChI=1SC17H17N7O6S3c17(22410(31822)24(29)30)13(25)191114(26)2312(16(27)28)9(53115(11)23)6321721208(2)3317h3471115H56H212H3(H1925)(H2728)
MFCD05667338
ZINC000009431544
ZINC000102656639
Check stock
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Check stock on Vitas-MAvailable files
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