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-carboxylate
Catalog ID
STK030845
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 C14H13N8O4S3 MW 453.51 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)/p-1InChIKey
MLYYVTUWGNIJIB-UHFFFAOYSA-MSynonyms
3(((5METHYL134THIADIAZOL2YL)SULFANYL)METHYL)8OXO7((1HTETRAZOL1YLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLATE
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO7((2(TETRAZOL1YL)ACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLATE
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)p1
MFCD01543207
O=C(N(C@@H)1C(=O)N2(C@@H)1SCC(=C2C(=O)(O))CSc1nnc(s1)C)Cn1cnnn1(Na+)
O=C(NC1C(=O)N2C1SCC(=C2C(=O)(O))CSc1nnc(s1)C)Cn1cnnn1
sodium(6R7R)7(2(1Htetrazol1yl)acetamido)3(((5methyl134thiadiazol2yl)thio)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylate
STK030845
ZINC000003830405
ZINC000003830408
Check stock
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Check stock on Vitas-MAvailable files
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