Vitas-M small molecule compound
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](5-methoxy-1H-indol-3-yl)acetic acid
Catalog ID
STK647527
SMILES COc1ccc2c(c1)c(c[nH]2)C(N1CCN(CC1)c1nsc2c1cccc2)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-29-14-6-7-18-16(12-14)17(13-23-18)20(22(27)28)25-8-10-26(11-9-25)21-15-4-2-3-5-19(15)30-24-21/h2-7,12-13,20,23H,8-11H2,1H3,(H,27,28)InChIKey
NRJPLMDCTBVLHH-UHFFFAOYSA-NSynonyms
1144494-95-0(4(12benzothiazol3yl)piperazin1yl)(5methoxy1Hindol3yl)aceticacid
1144494950
2(4(12benzothiazol3yl)piperazin1yl)2(5methoxy1Hindol3yl)aceticacid
2(4(benzo(d)isothiazol3yl)piperazin1yl)2(5methoxy1Hindol3yl)aceticacid
COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C4=NSC5=CC=CC=C54
COc1ccc2c(c1)c(c(nH)2)C(N1CCN(CC1)c1nsc2c1cccc2)C(=O)O
InChI=1SC22H22N4O3Sc12914671816(1214)17(132318)20(22(27)28)2581026(11925)2115423519(15)302421h2712132023H811H21H3(H2728)
MFCD12212910
ZINC000032088738
ZINC000032088741
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