Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[({5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl}carbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK288953
SMILES Clc1cc(Cl)c(c(c1)Cl)OCc1ccc(o1)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)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 C23H17Cl3N4O6S3 MW 647.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl3N4O6S3/c1-9-28-29-23(39-9)38-8-10-7-37-21-16(20(32)30(21)17(10)22(33)34)27-19(31)15-3-2-12(36-15)6-35-18-13(25)4-11(24)5-14(18)26/h2-5,16,21H,6-8H2,1H3,(H,27,31)(H,33,34)InChIKey
APGHNEDSRSYLAF-UHFFFAOYSA-NSynonyms
1214665-22-11214665221
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo7(((5((246trichlorophenoxy)methyl)furan2yl)carbonyl)amino)5thia1azabicyclo(420)oct2ene2carboxylicacid
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO7((5((246TRICHLOROPHENOXY)METHYL)FURAN2CARBONYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=CC=C(O4)COC5=C(C=C(C=C5Cl)Cl)Cl)SC2)C(=O)O
InChI=1SC23H17Cl3N4O6S3c19282923(399)388107372116(20(32)30(21)17(10)22(33)34)2719(31)153212(3615)6351813(25)411(24)514(18)26h251621H68H21H3(H2731)(H3334)
MFCD04132704
ZINC000150385898
ZINC000150385903
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