Vitas-M small molecule compound
[1-(carboxymethyl)-6-fluoro-1H-indol-3-yl][4-(thiophen-2-ylmethyl)piperazin-1-yl]acetic acid
Catalog ID
STK938441
SMILES OC(=O)Cn1cc(c2c1cc(F)cc2)C(N1CCN(CC1)Cc1cccs1)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 C21H22FN3O4S MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O4S/c22-14-3-4-16-17(12-25(13-19(26)27)18(16)10-14)20(21(28)29)24-7-5-23(6-8-24)11-15-2-1-9-30-15/h1-4,9-10,12,20H,5-8,11,13H2,(H,26,27)(H,28,29)InChIKey
FNHOQKVDHFJFQD-UHFFFAOYSA-NSynonyms
1214840-51-3(1(carboxymethyl)6fluoro1Hindol3yl)(4(thiophen2ylmethyl)piperazin1yl)aceticacid
1214840513
2(1(carboxymethyl)6fluoro1Hindol3yl)2(4(thiophen2ylmethyl)piperazin1yl)aceticacid
2(1(carboxymethyl)6fluoroindol3yl)2(4(thiophen2ylmethyl)piperazin1yl)aceticacid
C1CN(CCN1CC2=CC=CS2)C(C3=CN(C4=C3C=CC(=C4)F)CC(=O)O)C(=O)O
InChI=1SC21H22FN3O4Sc2214341617(1225(1319(26)27)18(16)1014)20(21(28)29)247523(6824)11152193015h149101220H581113H2(H2627)(H2829)
MFCD13758383
ZINC000036358977
ZINC000036358978
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