Vitas-M small molecule compound
(6R,7R)-7-{[(formyloxy)(phenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Catalog ID
STL552688
SMILES O=COC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C)c1ccccc1
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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 C19H17N6O6S2 MW 489.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/p-1/t12-,14?,17-/m1/s1InChIKey
RRJHESVQVSRQEX-ZYFOBHMOSA-MSynonyms
(6~(R)7~(R))7((2formyloxy2phenylacetyl)amino)3((1methyltetrazol5yl)sulfanylmethyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylate
(6R7R)7(((formyloxy)(phenyl)acetyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylate
71827520
InChI=1SC19H18N6O6S2c12419(21222324)338117321712(16(28)25(17)13(11)18(29)30)2015(27)14(31926)105324610h269121417H78H21H3(H2027)(H2930)p1t1214?17m1s1
O=COC(C(=O)N(C@@H)1C(=O)N2(C@@H)1SCC(=C2C(=O)(O))CSc1nnnn1C)c1ccccc1(Na+)
sodium(6R7R)7(2(formyloxy)2phenylacetamido)3(((1methyl1Htetrazol5yl)thio)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylate
ZINC000003830397
ZINC000004097457
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