Vitas-M small molecule compound

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

Catalog ID
STK182584
SMILES C=CC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1ccccc1

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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 C17H16N2O4S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O4S/c1-2-11-9-24-16-13(15(21)19(16)14(11)17(22)23)18-12(20)8-10-6-4-3-5-7-10/h2-7,13,16H,1,8-9H2,(H,18,20)(H,22,23)
InChIKey
AGAOMWQWVIJILM-UHFFFAOYSA-N
Synonyms

(6R7R)3ETHENYL8OXO7((PHENYLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3ETHENYL8OXIDANYLIDENE7(2PHENYLETHANOYLAMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3ETHENYL8OXO7((1OXO2PHENYLETHYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3ETHENYL8OXO7((2PHENYLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3ETHENYL8OXO7((PHENYLACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
6OXO7(2PHENYLACETYLAMINO)3VINYL2H7H7AHAZETIDINO(21B)13THIAZINE4CARBOXYLICACID
8KETO7((2PHENYLACETYL)AMINO)3VINYL5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
8OXO7PHENYLACETYLAMINO3VINYL5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
C=CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O
InChI=1SC17H16N2O4Sc12119241613(15(21)19(16)14(11)17(22)23)1812(20)8106435710h271316H189H2(H1820)(H2223)
MFCD04041769
ZINC000002858576
ZINC000002858579

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Available files

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