Vitas-M small molecule compound
7-({[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetyl}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
STK384946
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1nc(c(c1C1CC1)Cl)C(F)F
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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 C20H19ClF2N6O4S3 MW 577.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClF2N6O4S3/c1-7-25-26-20(36-7)35-6-9-5-34-18-13(17(31)29(18)15(9)19(32)33)24-10(30)4-28-14(8-2-3-8)11(21)12(27-28)16(22)23/h8,13,16,18H,2-6H2,1H3,(H,24,30)(H,32,33)InChIKey
YGSHJEPLTCCPBF-UHFFFAOYSA-NSynonyms
1214104-55-81214104558
7(((4chloro5cyclopropyl3(difluoromethyl)1Hpyrazol1yl)acetyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(4CHLORO5CYCLOPROPYL3(DIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C(=C(C(=N4)C(F)F)Cl)C5CC5)SC2)C(=O)O
InChI=1SC20H19ClF2N6O4S3c17252620(367)35695341813(17(31)29(18)15(9)19(32)33)2410(30)42814(8238)11(21)12(2728)16(22)23h8131618H26H21H3(H2430)(H3233)
MFCD04132793
ZINC000002798377
ZINC000002798380
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