Vitas-M small molecule compound
7-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL403073
SMILES O=C1C(NC(=O)c2c(C)nn(c2C)c2ccccc2)C2N1C(=C(CS2)C)C(=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 C20H20N4O4S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S/c1-10-9-29-19-15(18(26)23(19)16(10)20(27)28)21-17(25)14-11(2)22-24(12(14)3)13-7-5-4-6-8-13/h4-8,15,19H,9H2,1-3H3,(H,21,25)(H,27,28)InChIKey
URELCQLYZQIKOC-UHFFFAOYSA-NSynonyms
1214676-79-51214676795
7(((35dimethyl1phenyl1Hpyrazol4yl)carbonyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((35DIMETHYL1PHENYLPYRAZOLE4CARBONYL)AMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)C)SC1)C(=O)O
InChI=1SC20H20N4O4Sc1109291915(18(26)23(19)16(10)20(27)28)2117(25)1411(2)2224(12(14)3)137546813h481519H9H213H3(H2125)(H2728)
MFCD04049254
ZINC000002783484
ZINC000002783487
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