Vitas-M small molecule compound
3-(3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](carboxy)methyl}-5-methoxy-1H-indol-1-yl)propanoic acid
Catalog ID
STK941223
SMILES COc1ccc2c(c1)c(cn2CCC(=O)O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C26H29N3O7 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O7/c1-34-18-3-4-21-19(13-18)20(15-29(21)7-6-24(30)31)25(26(32)33)28-10-8-27(9-11-28)14-17-2-5-22-23(12-17)36-16-35-22/h2-5,12-13,15,25H,6-11,14,16H2,1H3,(H,30,31)(H,32,33)InChIKey
OLKFOBNYBHUOBB-UHFFFAOYSA-NSynonyms
1214071-84-71214071847
3(3((4(13benzodioxol5ylmethyl)piperazin1yl)(carboxy)methyl)5methoxy1Hindol1yl)propanoicacid
3(3((4(13benzodioxol5ylmethyl)piperazin1yl)carboxymethyl)5methoxyindol1yl)propanoicacid
3(3((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)(carboxy)methyl)5methoxy1Hindol1yl)propanoicacid
COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)CCC(=O)O
InChI=1SC26H29N3O7c13418342119(1318)20(1529(21)7624(30)31)25(26(32)33)2810827(91128)1417252223(1217)36163522h2512131525H6111416H21H3(H3031)(H3233)
MFCD13758363
ZINC000036358958
ZINC000036358959
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