Vitas-M small molecule compound

3-[(acetyloxy)methyl]-7-[({5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}carbonyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK397080
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1ccc(o1)COc1c(C)cccc1Cl

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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 C23H21ClN2O8S MW 520.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O8S/c1-11-4-3-5-15(24)19(11)33-9-14-6-7-16(34-14)20(28)25-17-21(29)26-18(23(30)31)13(8-32-12(2)27)10-35-22(17)26/h3-7,17,22H,8-10H2,1-2H3,(H,25,28)(H,30,31)
InChIKey
YNXTZYIYTKKIAZ-UHFFFAOYSA-N
Synonyms
1214690-86-4
1214690864
3((acetyloxy)methyl)7(((5((2chloro6methylphenoxy)methyl)furan2yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3((ACETYLOXY)METHYL)7((5((2CHLORO6METHYLPHENOXY)METHYL)2FUROYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3(ACETYLOXYMETHYL)7((5((2CHLORO6METHYLPHENOXY)METHYL)FURAN2CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=CC=C1)Cl)OCC2=CC=C(O2)C(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O
InChI=1SC23H21ClN2O8Sc11143515(24)19(11)339146716(3414)20(28)251721(29)2618(23(30)31)13(83212(2)27)103522(17)26h371722H810H212H3(H2528)(H3031)
MFCD05661442
ZINC000008927984
ZINC000008927989

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Available files

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