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Vitas-M small molecule compound

3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK177242
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1

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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 C14H14N8O4S3 MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)
InChIKey
MLYYVTUWGNIJIB-UHFFFAOYSA-N
Synonyms
438540-91-1
(6R7R)3(((5METHYL134THIADIAZOL2YL)SULFANYL)METHYL)8OXO7((1HTETRAZOL1YLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3(((5METHYL134THIADIAZOL2YL)SULFANYL)METHYL)8OXO7((1HTETRAZOL1YLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO7((2(TETRAZOL1YL)ACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
438540911
5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID3(((5METHYL134THIADIAZOL2YL)THIO)METHYL)8OXO7((1HTETRAZOL1YLACETYL)AMINO)TRANS()
5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID3(((5METHYL134THIADIAZOL2YL)THIO)METHYL)8OXO7(2(1HTETRAZOL1YL)ACETAMIDO)
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O
InChI=1SC14H14N8O4S3c16171814(296)2847327129(11(24)22(12)10(7)13(25)26)168(23)221515192021h5912H24H21H3(H1623)(H2526)
MFCD00767909

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Available files

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