Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-{[(4-nitrophenyl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL177496
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1ccc(cc1)[N+](=O)[O-]
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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 C18H15N5O6S3 MW 493.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O6S3/c1-8-20-21-18(32-8)31-7-10-6-30-16-12(15(25)22(16)13(10)17(26)27)19-14(24)9-2-4-11(5-3-9)23(28)29/h2-5,12,16H,6-7H2,1H3,(H,19,24)(H,26,27)InChIKey
GATVNTHDEDBWCA-UHFFFAOYSA-NSynonyms
1214140-14-31214140143
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)7(((4nitrophenyl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3((5methyl134thiadiazol2yl)sulfanylmethyl)7((4nitrobenzoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))SC2)C(=O)O
Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H15N5O6S3c18202118(328)317106301612(15(25)22(16)13(10)17(26)27)1914(24)92411(539)23(28)29h251216H67H21H3(H1924)(H2627)
MFCD04054115
ZINC000002805552
ZINC000002805555
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