Vitas-M small molecule compound
6-{[{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Catalog ID
STK249732
SMILES CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)[O-])(C)C)c1ccccc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H26N5O7S MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/p-1InChIKey
IVBHGBMCVLDMKU-UHFFFAOYSA-MSynonyms
6(((((4ethyl23dioxopiperazin1yl)carbonyl)amino)(phenyl)acetyl)amino)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylate
6((2((4ETHYL23DIOXOPIPERAZINE1CARBONYL)AMINO)2PHENYLACETYL)AMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLATE
CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)N(C@@H)1C(=O)N2(C@@H)1SC((C@@H)2C(=O)(O))(C)C)c1ccccc1(Na+)
CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)(O))(C)C)c1ccccc1
CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)(O)
InChI=1SC23H27N5O7Sc1426101127(19(32)18(26)31)22(35)2513(128657912)16(29)241417(30)2815(21(33)34)23(23)3620(14)28h59131520H41011H213H3(H2429)(H2535)(H3334)p1
MFCD01077377
sodium(2S5R6R)6(2(4ethyl23dioxopiperazine1carboxamido)2phenylacetamido)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylate
ZINC000003831346
ZINC000011592733
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