Vitas-M small molecule compound
3-methyl-7-{[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-N-(2-methylpropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxamide
Catalog ID
STL403794
SMILES CC(CNC(=O)C1=C(C)CSC2N1C(=O)C2NC(=O)c1nn(cc1[N+](=O)[O-])C)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 C17H22N6O5S MW 422.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O5S/c1-8(2)5-18-15(25)13-9(3)7-29-17-12(16(26)22(13)17)19-14(24)11-10(23(27)28)6-21(4)20-11/h6,8,12,17H,5,7H2,1-4H3,(H,18,25)(H,19,24)InChIKey
XCMJVMGDLJZARJ-UHFFFAOYSA-NSynonyms
1214191-43-11214191431
3methyl7(((1methyl4nitro1Hpyrazol3yl)carbonyl)amino)N(2methylpropyl)8oxo5thia1azabicyclo(420)oct2ene2carboxamide
3METHYL7((1METHYL4NITROPYRAZOLE3CARBONYL)AMINO)N(2METHYLPROPYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXAMIDE
CC(CNC(=O)C1=C(C)CSC2N1C(=O)C2NC(=O)c1nn(cc1(N+)(=O)(O))C)C
CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3(N+)(=O)(O))C)SC1)C(=O)NCC(C)C
InChI=1SC17H22N6O5Sc18(2)51815(25)139(3)7291712(16(26)22(13)17)1914(24)1110(23(27)28)621(4)2011h681217H57H214H3(H1825)(H1924)
MFCD04050157
ZINC000002785521
ZINC000002785524
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