Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7-{[3-(3-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK256709
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)CCn1ccc(n1)[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 C17H17N7O6S3 MW 511.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O6S3/c1-8-19-20-17(33-8)32-7-9-6-31-15-12(14(26)23(15)13(9)16(27)28)18-11(25)3-5-22-4-2-10(21-22)24(29)30/h2,4,12,15H,3,5-7H2,1H3,(H,18,25)(H,27,28)InChIKey
BGTMMLCBQQFKOS-UHFFFAOYSA-NSynonyms
1214115-05-51214115055
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)7((3(3nitro1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)7(3(3NITROPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CCN4C=CC(=N4)(N+)(=O)(O))SC2)C(=O)O
InChI=1SC17H17N7O6S3c18192017(338)32796311512(14(26)23(15)13(9)16(27)28)1811(25)35224210(2122)24(29)30h241215H357H21H3(H1825)(H2728)
MFCD04138104
O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)CCn1ccc(n1)(N+)(=O)(O)
ZINC000009355872
ZINC000009355875
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