Vitas-M small molecule compound
6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Catalog ID
STK177287
SMILES [O-]C(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
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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 C19H16Cl2N3O5S MW 469.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/p-1InChIKey
YFAGHNZHGGCZAX-UHFFFAOYSA-MSynonyms
(2R5R6S)6(((3(26DICHLOROPHENYL)5METHYL12OXAZOL4YL)CARBONYL)AMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLATE
(O)C(=O)(C@@H)1N2C(=O)(C@H)((C@H)2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl(Na+)
(O)C(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
6(((3(26DICHLOROPHENYL)5METHYL12OXAZOL4YL)CARBONYL)AMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLATE
6((3(26DICHLOROPHENYL)5METHYL12OXAZOLE4CARBONYL)AMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLATE
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)(O)
InChI=1SC19H17Cl2N3O5Sc1710(12(23297)118(20)5469(11)21)15(25)221316(26)2414(18(27)28)19(23)3017(13)24h46131417H13H3(H2225)(H2728)p1
MFCD03254965
sodium(2S5R6R)6(3(26dichlorophenyl)5methylisoxazole4carboxamido)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylate
ZINC000002015281
ZINC000003978006
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