Vitas-M small molecule compound

3-[(acetyloxy)methyl]-8-oxo-7-[(3-phenylbutanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK308928
SMILES CC(c1ccccc1)CC(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C

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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 C20H22N2O6S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6S/c1-11(13-6-4-3-5-7-13)8-15(24)21-16-18(25)22-17(20(26)27)14(9-28-12(2)23)10-29-19(16)22/h3-7,11,16,19H,8-10H2,1-2H3,(H,21,24)(H,26,27)
InChIKey
NFWOAGOKRSGCBI-UHFFFAOYSA-N
Synonyms
1214125-50-4
1214125504
3((acetyloxy)methyl)8oxo7((3phenylbutanoyl)amino)5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)6OXO7(3PHENYLBUTANOYLAMINO)2H7H7AHAZETIDINO(21B)13THIAZINE4CARBOXYLICACID
3(ACETYLOXYMETHYL)8OXO7(3PHENYLBUTANOYLAMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(CC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O)C3=CC=CC=C3
InChI=1SC20H22N2O6Sc111(136435713)815(24)211618(25)2217(20(26)27)14(92812(2)23)102919(16)22h37111619H810H212H3(H2124)(H2627)
MFCD05666960
ZINC000008488838
ZINC000013959952

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Available files

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