Vitas-M small molecule compound

7-{[(5-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-yl)carbonyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STK384578
SMILES O=C1C(NC(=O)c2ccc(o2)COc2cc(C)c(cc2C(C)C)Cl)C2N1C(=C(CS2)CSc1nnc(s1)C)C(=O)O

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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 C27H27ClN4O6S3 MW 635.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN4O6S3/c1-12(2)17-8-18(28)13(3)7-20(17)37-9-16-5-6-19(38-16)23(33)29-21-24(34)32-22(26(35)36)15(10-39-25(21)32)11-40-27-31-30-14(4)41-27/h5-8,12,21,25H,9-11H2,1-4H3,(H,29,33)(H,35,36)
InChIKey
VYBQTJOYKWQCFB-UHFFFAOYSA-N
Synonyms
1214832-45-7
1214832457
7(((5((4chloro5methyl2(propan2yl)phenoxy)methyl)furan2yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((5((4CHLORO5METHYL2PROPAN2YLPHENOXY)METHYL)FURAN2CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=CC(=C(C=C1Cl)C(C)C)OCC2=CC=C(O2)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=C(S5)C)C(=O)O
InChI=1SC27H27ClN4O6S3c112(2)17818(28)13(3)720(17)379165619(3816)23(33)292124(34)3222(26(35)36)15(103925(21)32)114027313014(4)4127h58122125H911H214H3(H2933)(H3536)
MFCD04052858
ZINC000150400026
ZINC000150400036

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Available files

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