Vitas-M small molecule compound

3-[(acetyloxy)methyl]-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Catalog ID
STK177203
SMILES CC(=O)OCC1=C(C(=O)[O-])N2C(SC1)C(C2=O)NC(=O)Cc1cccs1

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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 C16H15N2O6S2 MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/p-1
InChIKey
XIURVHNZVLADCM-UHFFFAOYSA-M
Synonyms

3((ACETYLOXY)METHYL)8OXO7((THIOPHEN2YLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLATE
3(ACETOXYMETHYL)8OXO7((2THIENYLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLATE
3(ACETYLOXYMETHYL)8OXO7((2THIOPHEN2YLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLATE
CC(=O)OCC1=C(C(=O)(O))N2(C@H)(SC1)(C@@H)(C2=O)NC(=O)Cc1cccs1(Na+)
CC(=O)OCC1=C(C(=O)(O))N2C(SC1)C(C2=O)NC(=O)Cc1cccs1
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)(O)
InChI=1SC16H16N2O6S2c18(19)24697261512(14(21)18(15)13(9)16(22)23)1711(20)5103242510h241215H57H21H3(H1720)(H2223)p1
MFCD00655929
sodium(6R7R)3(acetoxymethyl)8oxo7(2(thiophen2yl)acetamido)5thia1azabicyclo(420)oct2ene2carboxylate

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.