Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-({4-[2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methyl)butanoic acid
Catalog ID
STL242568
SMILES O=C(CC(C(=O)O)CN1CCN(CC1)CCN1CCCC1)Nc1ccc2c(c1)OCO2
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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 C22H32N4O5 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N4O5/c27-21(23-18-3-4-19-20(14-18)31-16-30-19)13-17(22(28)29)15-26-11-9-25(10-12-26)8-7-24-5-1-2-6-24/h3-4,14,17H,1-2,5-13,15-16H2,(H,23,27)(H,28,29)InChIKey
WEDGTKNWWBGNHE-UHFFFAOYSA-NSynonyms
1374528-65-01374528650
4(13benzodioxol5ylamino)4oxo2((4(2(pyrrolidin1yl)ethyl)piperazin1yl)methyl)butanoicacid
4(13benzodioxol5ylamino)4oxo2((4(2pyrrolidin1ylethyl)piperazin1yl)methyl)butanoicacid
4(benzo(d)(13)dioxol5ylamino)4oxo2((4(2(pyrrolidin1yl)ethyl)piperazin1yl)methyl)butanoicacid
C1CCN(C1)CCN2CCN(CC2)CC(CC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)O
InChI=1SC22H32N4O5c2721(2318341920(1418)31163019)1317(22(28)29)152611925(101226)8724512624h341417H125131516H2(H2327)(H2829)
MFCD22204020
ZINC000072405682
ZINC000072405683
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