Vitas-M small molecule compound
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](6-fluoro-1H-indol-3-yl)acetic acid
Catalog ID
STK654965
SMILES OC(=O)C(c1c[nH]c2c1ccc(c2)F)N1CCN(CC1)c1nsc2c1cccc2
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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 C21H19FN4O2S MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O2S/c22-13-5-6-14-16(12-23-17(14)11-13)19(21(27)28)25-7-9-26(10-8-25)20-15-3-1-2-4-18(15)29-24-20/h1-6,11-12,19,23H,7-10H2,(H,27,28)InChIKey
QKXOANAQAZFPKJ-UHFFFAOYSA-NSynonyms
1144494-60-9(4(12benzothiazol3yl)piperazin1yl)(6fluoro1Hindol3yl)aceticacid
1144494609
2(4(12benzothiazol3yl)piperazin1yl)2(6fluoro1Hindol3yl)aceticacid
2(4(benzo(d)isothiazol3yl)piperazin1yl)2(6fluoro1Hindol3yl)aceticacid
C1CN(CCN1C2=NSC3=CC=CC=C32)C(C4=CNC5=C4C=CC(=C5)F)C(=O)O
InChI=1SC21H19FN4O2Sc2213561416(122317(14)1113)19(21(27)28)257926(10825)2015312418(15)292420h1611121923H710H2(H2728)
MFCD12212780
OC(=O)C(c1c(nH)c2c1ccc(c2)F)N1CCN(CC1)c1nsc2c1cccc2
ZINC000032088169
ZINC000032088172
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