Vitas-M small molecule compound
7-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]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
STK384939
SMILES O=C(C(n1ncc(c1C)Cl)C)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 C18H19ClN6O4S3 MW 515.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN6O4S3/c1-7-11(19)4-20-25(7)8(2)14(26)21-12-15(27)24-13(17(28)29)10(5-30-16(12)24)6-31-18-23-22-9(3)32-18/h4,8,12,16H,5-6H2,1-3H3,(H,21,26)(H,28,29)InChIKey
XYRPGPNXVVZDQD-UHFFFAOYSA-NSynonyms
1214637-43-01214637430
7((2(4chloro5methyl1Hpyrazol1yl)propanoyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(2(4CHLORO5METHYLPYRAZOL1YL)PROPANOYLAMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)Cl
InChI=1SC18H19ClN6O4S3c1711(19)42025(7)8(2)14(26)211215(27)2413(17(28)29)10(53016(12)24)6311823229(3)3218h481216H56H213H3(H2126)(H2829)
MFCD04046456
ZINC000002788723
ZINC000016210583
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