Vitas-M small molecule compound
7-{[(4-chloro-1-methyl-1H-pyrazol-5-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
STK317833
SMILES O=C1C(NC(=O)c2c(Cl)cnn2C)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 C16H15ClN6O4S3 MW 486.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15ClN6O4S3/c1-6-20-21-16(30-6)29-5-7-4-28-14-9(13(25)23(14)10(7)15(26)27)19-12(24)11-8(17)3-18-22(11)2/h3,9,14H,4-5H2,1-2H3,(H,19,24)(H,26,27)InChIKey
ICNVDZSUZUOYKK-UHFFFAOYSA-NSynonyms
1214073-92-31214073923
7(((4chloro1methyl1Hpyrazol5yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((4CHLORO2METHYLPYRAZOLE3CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=C(C=NN4C)Cl)SC2)C(=O)O
InChI=1SC16H15ClN6O4S3c16202116(306)2957428149(13(25)23(14)10(7)15(26)27)1912(24)118(17)31822(11)2h3914H45H212H3(H1924)(H2627)
MFCD04136666
ZINC000002807909
ZINC000002807912
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