Vitas-M small molecule compound
7-{[(4-chloro-1-methyl-1H-pyrazol-3-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
STL398071
SMILES O=C1C(NC(=O)c2nn(cc2Cl)C)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/c1-6-19-20-16(30-6)29-5-7-4-28-14-10(13(25)23(14)11(7)15(26)27)18-12(24)9-8(17)3-22(2)21-9/h3,10,14H,4-5H2,1-2H3,(H,18,24)(H,26,27)InChIKey
YBLLSUDFFKHEQK-UHFFFAOYSA-NSynonyms
1214825-63-41214825634
7(((4CHLORO1METHYL1HPYRAZOL3YL)CARBONYL)AMINO)3(((5METHYL134THIADIAZOL2YL)SULFANYL)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7((4CHLORO1METHYLPYRAZOLE3CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=NN(C=C4Cl)C)SC2)C(=O)O
InChI=1SC16H15ClN6O4S3c16192016(306)29574281410(13(25)23(14)11(7)15(26)27)1812(24)98(17)322(2)219h31014H45H212H3(H1824)(H2627)
MFCD04048116
ZINC000002739499
ZINC000002739502
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