Vitas-M small molecule compound
[1-(carboxymethyl)-6-fluoro-1H-indol-3-yl][4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]acetic acid
Catalog ID
STK651176
SMILES OC(=O)Cn1cc(c2c1cc(F)cc2)C(N1CCN(CC1)C1CCS(=O)(=O)C1)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 C20H24FN3O6S MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24FN3O6S/c21-13-1-2-15-16(10-24(11-18(25)26)17(15)9-13)19(20(27)28)23-6-4-22(5-7-23)14-3-8-31(29,30)12-14/h1-2,9-10,14,19H,3-8,11-12H2,(H,25,26)(H,27,28)InChIKey
MFBZPEKACXAILB-UHFFFAOYSA-NSynonyms
1214634-54-4(1(carboxymethyl)6fluoro1Hindol3yl)(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)aceticacid
1214634544
2(1(carboxymethyl)6fluoro1Hindol3yl)2(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)aceticacid
2(1(carboxymethyl)6fluoroindol3yl)2(4(11dioxothiolan3yl)piperazin1yl)aceticacid
C1CS(=O)(=O)CC1N2CCN(CC2)C(C3=CN(C4=C3C=CC(=C4)F)CC(=O)O)C(=O)O
InChI=1SC20H24FN3O6Sc2113121516(1024(1118(25)26)17(15)913)19(20(27)28)236422(5723)143831(2930)1214h129101419H381112H2(H2526)(H2728)
MFCD13760505
ZINC000036365709
ZINC000036365714
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